3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide

C16H24N2O2 — CID 63045073

IUPAC3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-15-8-6-14(7-9-15)18-16(19)12-4-3-5-13(17)11-12/h6-9,12-13H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyIMQOECMLCWAYMI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds5

About 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide

3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 63045073) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
PubChem CID63045073
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-15-8-6-14(7-9-15)18-16(19)12-4-3-5-13(17)11-12/h6-9,12-13H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyIMQOECMLCWAYMI-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
methyl 4-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]butanoate
CID 119784190
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119712726
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
3-amino-N-[4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119676533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide (CID 63045073) is 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is IMQOECMLCWAYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-20-15-8-6-14(7-9-15)18-16(19)12-4-3-5-13(17)11-12/h6-9,12-13H,2-5,10-11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide?
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63045073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).