3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride

C20H25ClN2O — CID 119799547

IUPAC3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-15(17-9-3-2-4-10-17)22(14-16-7-5-8-16)20(23)18-11-6-12-19(21)13-18;/h2-4,6,9-13,15-16H,5,7-8,14,21H2,1H3;1H
InChIKeyRIFLAXOCVXKUEN-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.69
Rot. Bonds5

About 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride

3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride (PubChem CID 119799547) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
PubChem CID119799547
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-15(17-9-3-2-4-10-17)22(14-16-7-5-8-16)20(23)18-11-6-12-19(21)13-18;/h2-4,6,9-13,15-16H,5,7-8,14,21H2,1H3;1H
InChIKeyRIFLAXOCVXKUEN-UHFFFAOYSA-N
XLogP4.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide
CID 71862208
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 55000146
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
CID 111450422
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride (CID 119799547) is 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride is CC(c1ccccc1)N(CC1CCC1)C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride?
The InChIKey is RIFLAXOCVXKUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-15(17-9-3-2-4-10-17)22(14-16-7-5-8-16)20(23)18-11-6-12-19(21)13-18;/h2-4,6,9-13,15-16H,5,7-8,14,21H2,1H3;1H.
What are the key properties of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride?
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119799547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).