1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide

C16H25N3O — CID 64550871

IUPAC1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-4-10-16(17,11-12)15(20)18-13-6-8-14(9-7-13)19(2)3/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyXURPODKHWHYTHP-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds3

About 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 64550871) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
PubChem CID64550871
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)Nc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-12-5-4-10-16(17,11-12)15(20)18-13-6-8-14(9-7-13)19(2)3/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyXURPODKHWHYTHP-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(1-amino-3-methylcyclohexanecarbonyl)amino]benzamide
CID 64551233
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-amino-N-(3-hydroxy-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550233
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64549223
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-3-methyl-N-(1,2-oxazol-4-yl)cyclohexane-1-carboxamide
CID 64552972
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
2-bromo-N-[4-(dimethylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 70609542
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide (CID 64550871) is 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)Nc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is XURPODKHWHYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-5-4-10-16(17,11-12)15(20)18-13-6-8-14(9-7-13)19(2)3/h6-9,12H,4-5,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(dimethylamino)phenyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64550871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).