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

C16H24N2O2 — CID 64822364

IUPAC2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17/h5-7,11,14-15H,2-4,8-10,17H2,1H3,(H,18,19)
InChIKeyWXXQVEDLNBTKSZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide

2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 64822364) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
PubChem CID64822364
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-20-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17/h5-7,11,14-15H,2-4,8-10,17H2,1H3,(H,18,19)
InChIKeyWXXQVEDLNBTKSZ-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

2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 64824744
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
CID 64822399
cis-(1S,2R)-2-[[3-(2-methoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41385907
cis-(1R,2S)-2-[[3-(2-ethoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41452832
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
N-(3-propoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284767
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide (CID 64822364) is 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide is CCCOc1cccc(NC(=O)C2CCCCC2N)c1.
What is the InChIKey of 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is WXXQVEDLNBTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-20-13-7-5-6-12(11-13)18-16(19)14-8-3-4-9-15(14)17/h5-7,11,14-15H,2-4,8-10,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide?
2-amino-N-(3-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 2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).