3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide

C19H30N2O — CID 119806871

IUPAC3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C19H30N2O/c1-4-18(12-15-10-8-14(2)9-11-15)21(3)19(22)16-6-5-7-17(20)13-16/h8-11,16-18H,4-7,12-13,20H2,1-3H3
InChIKeyFOOXEBJNQQQNEL-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide

3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide (PubChem CID 119806871) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
PubChem CID119806871
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C19H30N2O/c1-4-18(12-15-10-8-14(2)9-11-15)21(3)19(22)16-6-5-7-17(20)13-16/h8-11,16-18H,4-7,12-13,20H2,1-3H3
InChIKeyFOOXEBJNQQQNEL-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119806868
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119795534
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119806895
3-amino-N-ethyl-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 63046107
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62777350
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
3-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119704996

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide (CID 119806871) is 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide is CCC(Cc1ccc(C)cc1)N(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is FOOXEBJNQQQNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-18(12-15-10-8-14(2)9-11-15)21(3)19(22)16-6-5-7-17(20)13-16/h8-11,16-18H,4-7,12-13,20H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119806871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).