N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide

C23H23N3O2 — CID 23968860

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-16-7-12-20(13-21(16)26-23(28)19-5-3-2-4-6-19)22(27)25-15-18-10-8-17(14-24)9-11-18/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyCGXNNWCKUHSCOQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.64
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide

N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide (PubChem CID 23968860) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
PubChem CID23968860
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-16-7-12-20(13-21(16)26-23(28)19-5-3-2-4-6-19)22(27)25-15-18-10-8-17(14-24)9-11-18/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyCGXNNWCKUHSCOQ-UHFFFAOYSA-N
XLogP3.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23906553
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23794603
3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
CID 55783632
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide (CID 23968860) is N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide?
The InChIKey is CGXNNWCKUHSCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-7-12-20(13-21(16)26-23(28)19-5-3-2-4-6-19)22(27)25-15-18-10-8-17(14-24)9-11-18/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide is sourced from PubChem (CID 23968860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).