4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride

C23H25ClN2O — CID 119303592

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride
SMILESCC(c1ccc2ccccc2c1)N(C(=O)c1ccc(CN)cc1)C1CC1.Cl
InChIInChI=1S/C23H24N2O.ClH/c1-16(20-11-10-18-4-2-3-5-21(18)14-20)25(22-12-13-22)23(26)19-8-6-17(15-24)7-9-19;/h2-11,14,16,22H,12-13,15,24H2,1H3;1H
InChIKeyQSCUVEVUJWVGJR-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.09
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride

4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride (PubChem CID 119303592) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride
PubChem CID119303592
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride
SMILESCC(c1ccc2ccccc2c1)N(C(=O)c1ccc(CN)cc1)C1CC1.Cl
InChIInChI=1S/C23H24N2O.ClH/c1-16(20-11-10-18-4-2-3-5-21(18)14-20)25(22-12-13-22)23(26)19-8-6-17(15-24)7-9-19;/h2-11,14,16,22H,12-13,15,24H2,1H3;1H
InChIKeyQSCUVEVUJWVGJR-UHFFFAOYSA-N
XLogP5.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119303600
2-(4-aminophenyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)acetamide
CID 119749324
N-cyclopropyl-2-methyl-3-(methylamino)-N-(1-naphthalen-2-ylethyl)propanamide;hydrochloride
CID 119749339
3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide
CID 95043843
3-amino-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)cyclopentane-1-carboxamide
CID 119749330
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 51092582
N-cyclopropyl-N-[(1S)-1-naphthalen-2-ylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 95625443
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
CID 96555027
2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60588161
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride (CID 119303592) is 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride is CC(c1ccc2ccccc2c1)N(C(=O)c1ccc(CN)cc1)C1CC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride?
The InChIKey is QSCUVEVUJWVGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O.ClH/c1-16(20-11-10-18-4-2-3-5-21(18)14-20)25(22-12-13-22)23(26)19-8-6-17(15-24)7-9-19;/h2-11,14,16,22H,12-13,15,24H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride?
4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).