tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate

C23H37NO4 — CID 53360611

IUPACtert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate
SMILESCOc1ccc(C)c(CN(CC(C)(C)C(=O)C(C)(C)C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C23H37NO4/c1-16-11-12-18(27-10)13-17(16)14-24(20(26)28-22(5,6)7)15-23(8,9)19(25)21(2,3)4/h11-13H,14-15H2,1-10H3
InChIKeyNAVOMMHKWJEPQF-UHFFFAOYSA-N
MW391.55 g/mol
LogP5.38
Rot. Bonds6

About tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate

tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate (PubChem CID 53360611) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate
PubChem CID53360611
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Nametert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate
SMILESCOc1ccc(C)c(CN(CC(C)(C)C(=O)C(C)(C)C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C23H37NO4/c1-16-11-12-18(27-10)13-17(16)14-24(20(26)28-22(5,6)7)15-23(8,9)19(25)21(2,3)4/h11-13H,14-15H2,1-10H3
InChIKeyNAVOMMHKWJEPQF-UHFFFAOYSA-N
XLogP5.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.55
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylpropanoic acid
CID 164888535
tert-butyl N-[(2,4-dimethoxyphenyl)methyl]-N-(5-oxopentyl)carbamate
CID 88898761
tert-butyl N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]propyl]-N-[6-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 86577011
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl (E)-3-[4-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]prop-2-enoate
CID 22632233
tert-butyl N-[(2,4-dimethoxyphenyl)methyl]-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]carbamate
CID 69423559
tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate
CID 177238990
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103920808
tert-butyl N-ethyl-N-[[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 138985577
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
tert-butyl N-but-3-ynyl-N-[(4-methoxyphenyl)methyl]carbamate
CID 11231573
tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
CID 60558098

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate?
The IUPAC name of tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate (CID 53360611) is tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate.
What is the SMILES notation for tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate?
The canonical SMILES for tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate is COc1ccc(C)c(CN(CC(C)(C)C(=O)C(C)(C)C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate?
The InChIKey is NAVOMMHKWJEPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4/c1-16-11-12-18(27-10)13-17(16)14-24(20(26)28-22(5,6)7)15-23(8,9)19(25)21(2,3)4/h11-13H,14-15H2,1-10H3.
What are the key properties of tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate?
tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate has a molecular weight of 391.55 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methoxy-2-methylphenyl)methyl]-N-(2,2,4,4-tetramethyl-3-oxopentyl)carbamate is sourced from PubChem (CID 53360611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).