4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride

C21H27ClN2O — CID 119317648

IUPAC4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NC2CCCCC2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O.ClH/c22-15-17-10-12-18(13-11-17)21(24)23-20-9-5-4-8-19(20)14-16-6-2-1-3-7-16;/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15,22H2,(H,23,24);1H
InChIKeyVZTPNRNRLHSLFI-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.10
Rot. Bonds5

About 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride

4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride (PubChem CID 119317648) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
PubChem CID119317648
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NC2CCCCC2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O.ClH/c22-15-17-10-12-18(13-11-17)21(24)23-20-9-5-4-8-19(20)14-16-6-2-1-3-7-16;/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15,22H2,(H,23,24);1H
InChIKeyVZTPNRNRLHSLFI-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-benzylcyclopentyl)benzamide;hydrochloride
CID 119329447
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119137412
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
CID 119317652
3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119773377
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride (CID 119317648) is 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NC2CCCCC2Cc2ccccc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride?
The InChIKey is VZTPNRNRLHSLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c22-15-17-10-12-18(13-11-17)21(24)23-20-9-5-4-8-19(20)14-16-6-2-1-3-7-16;/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15,22H2,(H,23,24);1H.
What are the key properties of 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride is sourced from PubChem (CID 119317648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).