tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone

C112H114N12O8 — CID 158656854

IUPACtert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone
SMILESCc1ccccc1C(=Cc1ccnc(N)c1)c1ccccc1.Cc1ccccc1C(=Cc1ccnc(NC(N)=O)c1)c1ccccc1.Cc1ccccc1C(=O)c1ccccc1.Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)c1ccccc1.Cc1ccccc1C(O)(Cc1ccnc(NC(=O)OC(C)(C)C)c1)c1ccccc1.Cc1ccnc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H28N2O3.C21H21N3O.C21H19N3O.C20H18N2.C14H12O.C11H16N2O2/c1-18-10-8-9-13-21(18)25(29,20-11-6-5-7-12-20)17-19-14-15-26-22(16-19)27-23(28)30-24(2,3)4;2*1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-23-20(14-16)24-21(22)25;1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-22-20(21)14-16;1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-16,29H,17H2,1-4H3,(H,26,27,28);2-12,14,19H,13H2,1H3,(H3,22,23,24,25);2-14H,1H3,(H3,22,23,24,25);2-14H,1H3,(H2,21,22);2-10H,1H3;5-7H,1-4H3,(H,12,13,14)
InChIKeyICGBZVUXCXXSCK-UHFFFAOYSA-N
MW1756.22 g/mol
LogP24.46
Rot. Bonds20

About tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone

tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone (PubChem CID 158656854) has the molecular formula C112H114N12O8 and a molecular weight of 1756.22 g/mol. Its IUPAC name is tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Nametert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone
PubChem CID158656854
Molecular FormulaC112H114N12O8
Molecular Weight1756.22 g/mol
Exact Mass1754.89
IUPAC Nametert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone
SMILESCc1ccccc1C(=Cc1ccnc(N)c1)c1ccccc1.Cc1ccccc1C(=Cc1ccnc(NC(N)=O)c1)c1ccccc1.Cc1ccccc1C(=O)c1ccccc1.Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)c1ccccc1.Cc1ccccc1C(O)(Cc1ccnc(NC(=O)OC(C)(C)C)c1)c1ccccc1.Cc1ccnc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H28N2O3.C21H21N3O.C21H19N3O.C20H18N2.C14H12O.C11H16N2O2/c1-18-10-8-9-13-21(18)25(29,20-11-6-5-7-12-20)17-19-14-15-26-22(16-19)27-23(28)30-24(2,3)4;2*1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-23-20(14-16)24-21(22)25;1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-22-20(21)14-16;1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-16,29H,17H2,1-4H3,(H,26,27,28);2-12,14,19H,13H2,1H3,(H3,22,23,24,25);2-14H,1H3,(H3,22,23,24,25);2-14H,1H3,(H2,21,22);2-10H,1H3;5-7H,1-4H3,(H,12,13,14)
InChIKeyICGBZVUXCXXSCK-UHFFFAOYSA-N
XLogP24.46
TPSA314.67 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.22
LogP ≤ 524.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone?
The IUPAC name of tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone (CID 158656854) is tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone.
What is the SMILES notation for tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone?
The canonical SMILES for tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone is Cc1ccccc1C(=Cc1ccnc(N)c1)c1ccccc1.Cc1ccccc1C(=Cc1ccnc(NC(N)=O)c1)c1ccccc1.Cc1ccccc1C(=O)c1ccccc1.Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)c1ccccc1.Cc1ccccc1C(O)(Cc1ccnc(NC(=O)OC(C)(C)C)c1)c1ccccc1.Cc1ccnc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone?
The InChIKey is ICGBZVUXCXXSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3.C21H21N3O.C21H19N3O.C20H18N2.C14H12O.C11H16N2O2/c1-18-10-8-9-13-21(18)25(29,20-11-6-5-7-12-20)17-19-14-15-26-22(16-19)27-23(28)30-24(2,3)4;2*1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-23-20(14-16)24-21(22)25;1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-22-20(21)14-16;1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-16,29H,17H2,1-4H3,(H,26,27,28);2-12,14,19H,13H2,1H3,(H3,22,23,24,25);2-14H,1H3,(H3,22,23,24,25);2-14H,1H3,(H2,21,22);2-10H,1H3;5-7H,1-4H3,(H,12,13,14).
What are the key properties of tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone?
tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone has a molecular weight of 1756.22 g/mol, XLogP of 24.46, 20 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;4-[2-(2-methylphenyl)-2-phenylethenyl]pyridin-2-amine;[4-[2-(2-methylphenyl)-2-phenylethenyl]-2-pyridinyl]urea;[4-[2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]urea;(2-methylphenyl)-phenylmethanone is sourced from PubChem (CID 158656854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).