1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide

C16H24N2O2 — CID 64553181

IUPAC1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
SMILESCOc1cccc(N(C)C(=O)C2(N)CCCC(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-16(17,11-12)15(19)18(2)13-7-4-8-14(10-13)20-3/h4,7-8,10,12H,5-6,9,11,17H2,1-3H3
InChIKeyNBODDTIULWELGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.57
Rot. Bonds3

About 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide

1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide (PubChem CID 64553181) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
PubChem CID64553181
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
SMILESCOc1cccc(N(C)C(=O)C2(N)CCCC(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-16(17,11-12)15(19)18(2)13-7-4-8-14(10-13)20-3/h4,7-8,10,12H,5-6,9,11,17H2,1-3H3
InChIKeyNBODDTIULWELGK-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 64551887
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183686
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182981
(1S,6R)-6-[(3-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962351
1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
CID 64584223
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
(3S,4S)-N-(3-methoxyphenyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 114084877
1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81368673
(3R)-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 81140173
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide (CID 64553181) is 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide is COc1cccc(N(C)C(=O)C2(N)CCCC(C)C2)c1.
What is the InChIKey of 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is NBODDTIULWELGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-9-16(17,11-12)15(19)18(2)13-7-4-8-14(10-13)20-3/h4,7-8,10,12H,5-6,9,11,17H2,1-3H3.
What are the key properties of 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide?
1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 64553181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).