1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide

C16H23N3O3 — CID 119418958

IUPAC1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NC(C)=O)CCCCC2)cc1N
InChIInChI=1S/C16H23N3O3/c1-11(20)19-16(8-4-3-5-9-16)15(21)18-12-6-7-14(22-2)13(17)10-12/h6-7,10H,3-5,8-9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZIWLNNNQVFWIJN-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.05
Rot. Bonds4

About 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide

1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 119418958) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID119418958
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NC(C)=O)CCCCC2)cc1N
InChIInChI=1S/C16H23N3O3/c1-11(20)19-16(8-4-3-5-9-16)15(21)18-12-6-7-14(22-2)13(17)10-12/h6-7,10H,3-5,8-9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZIWLNNNQVFWIJN-UHFFFAOYSA-N
XLogP2.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-[(3-amino-4-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 166242194
N-(3-amino-4-methoxyphenyl)-1-(4-bromophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119420007
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
N-(3-amino-4-methoxyphenyl)-1-benzylcyclobutane-1-carboxamide;hydrochloride
CID 119420360
1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
N-(3-amino-4-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119419131
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide (CID 119418958) is 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2(NC(C)=O)CCCCC2)cc1N.
What is the InChIKey of 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZIWLNNNQVFWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(20)19-16(8-4-3-5-9-16)15(21)18-12-6-7-14(22-2)13(17)10-12/h6-7,10H,3-5,8-9,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide?
1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(3-amino-4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).