4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide

C16H23ClN2O2 — CID 141320364

IUPAC4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-19(21-2)16(20)13-5-9-15(10-6-13)18-11-12-3-7-14(17)8-4-12/h3-4,7-8,13,15,18H,5-6,9-11H2,1-2H3
InChIKeyZPMQYDOWXOHRPE-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.01
Rot. Bonds5

About 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide

4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 141320364) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID141320364
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-19(21-2)16(20)13-5-9-15(10-6-13)18-11-12-3-7-14(17)8-4-12/h3-4,7-8,13,15,18H,5-6,9-11H2,1-2H3
InChIKeyZPMQYDOWXOHRPE-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
2-[4-[(4-chlorophenyl)methylamino]cyclohexyl]hexanoic acid;dihydrochloride
CID 142749137
N-[4-(4-chlorophenyl)phenyl]-3-[4-[(cyclopropylamino)methyl]phenyl]prop-2-enamide
CID 68819108
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide (CID 141320364) is 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZPMQYDOWXOHRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(21-2)16(20)13-5-9-15(10-6-13)18-11-12-3-7-14(17)8-4-12/h3-4,7-8,13,15,18H,5-6,9-11H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide?
4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-N-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 141320364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).