3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride

C20H31ClN2O — CID 119799535

IUPAC3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C20H30N2O.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;/h2-4,9-10,15-16,18-19H,5-8,11-14,21H2,1H3;1H
InChIKeyGMYUWOUIBNAZCB-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.32
Rot. Bonds5

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

3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119799535) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119799535
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C20H30N2O.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;/h2-4,9-10,15-16,18-19H,5-8,11-14,21H2,1H3;1H
InChIKeyGMYUWOUIBNAZCB-UHFFFAOYSA-N
XLogP4.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119807872
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-(cyclobutylmethyl)-N-phenylcyclopentane-1-carboxamide
CID 119807478
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119799535) is 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride is CC(c1ccccc1)N(CC1CCC1)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GMYUWOUIBNAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.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;/h2-4,9-10,15-16,18-19H,5-8,11-14,21H2,1H3;1H.
What are the key properties of 3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 4.32, 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)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119799535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).