2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide

C25H27N3O2 — CID 23824532

IUPAC2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1cccc(CNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C25H27N3O2/c1-19-8-5-6-13-23(19)24(29)27-17-21-11-7-12-22(16-21)18-28-25(30)26-15-14-20-9-3-2-4-10-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,29)(H2,26,28,30)
InChIKeyIBRDVRYCLLHPAP-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.97
Rot. Bonds8

About 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide

2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide (PubChem CID 23824532) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
PubChem CID23824532
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1cccc(CNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C25H27N3O2/c1-19-8-5-6-13-23(19)24(29)27-17-21-11-7-12-22(16-21)18-28-25(30)26-15-14-20-9-3-2-4-10-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,29)(H2,26,28,30)
InChIKeyIBRDVRYCLLHPAP-UHFFFAOYSA-N
XLogP3.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
CID 23903259
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
CID 170385161
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
CID 33421608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide (CID 23824532) is 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide is Cc1ccccc1C(=O)NCc1cccc(CNC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide?
The InChIKey is IBRDVRYCLLHPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19-8-5-6-13-23(19)24(29)27-17-21-11-7-12-22(16-21)18-28-25(30)26-15-14-20-9-3-2-4-10-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,29)(H2,26,28,30).
What are the key properties of 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide?
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 23824532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).