2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 64824744

IUPAC2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)COc1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-21-14-7-5-6-13(10-14)19-17(20)15-8-3-4-9-16(15)18/h5-7,10,12,15-16H,3-4,8-9,11,18H2,1-2H3,(H,19,20)
InChIKeyZRCIHFDDAATKNH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds5

About 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide

2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 64824744) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID64824744
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)COc1cccc(NC(=O)C2CCCCC2N)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-21-14-7-5-6-13(10-14)19-17(20)15-8-3-4-9-16(15)18/h5-7,10,12,15-16H,3-4,8-9,11,18H2,1-2H3,(H,19,20)
InChIKeyZRCIHFDDAATKNH-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-methylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17079570
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
2-amino-N-[3-(3-cyanopropoxy)phenyl]cyclopentane-1-carboxamide
CID 64822399
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
(2S,5R)-5-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]oxolane-2-carboxamide
CID 120786642
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide (CID 64824744) is 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide is CC(C)COc1cccc(NC(=O)C2CCCCC2N)c1.
What is the InChIKey of 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZRCIHFDDAATKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-21-14-7-5-6-13(10-14)19-17(20)15-8-3-4-9-16(15)18/h5-7,10,12,15-16H,3-4,8-9,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[3-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 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-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64824744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).