N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide

C14H20N2O2 — CID 16773964

IUPACN-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(N)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-18-13-8-7-11(15)9-12(13)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3,(H,16,17)
InChIKeyRUANFLFAHDPNLN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds3

About N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide

N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide (PubChem CID 16773964) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
PubChem CID16773964
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
SMILESCOc1ccc(N)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-18-13-8-7-11(15)9-12(13)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3,(H,16,17)
InChIKeyRUANFLFAHDPNLN-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
CID 43140036
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide (CID 16773964) is N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide is COc1ccc(N)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide?
The InChIKey is RUANFLFAHDPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-8-7-11(15)9-12(13)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide?
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 16773964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).