3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide

C17H26N2O2 — CID 106871637

IUPAC3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC2CCCC(OC)C2)c1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-17(20)13-6-4-7-14(11-13)19-15-8-5-9-16(12-15)21-2/h4,6-7,11,15-16,19H,3,5,8-10,12H2,1-2H3,(H,18,20)
InChIKeyORURIMMRAVTLGF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds6

About 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide

3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide (PubChem CID 106871637) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
PubChem CID106871637
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC2CCCC(OC)C2)c1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-17(20)13-6-4-7-14(11-13)19-15-8-5-9-16(12-15)21-2/h4,6-7,11,15-16,19H,3,5,8-10,12H2,1-2H3,(H,18,20)
InChIKeyORURIMMRAVTLGF-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
CID 79864777
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
CID 97157129
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696
3-(ethylamino)-N-propylbenzamide
CID 43676038
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-(3-methoxycyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 106871884
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide (CID 106871637) is 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC2CCCC(OC)C2)c1.
What is the InChIKey of 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide?
The InChIKey is ORURIMMRAVTLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-18-17(20)13-6-4-7-14(11-13)19-15-8-5-9-16(12-15)21-2/h4,6-7,11,15-16,19H,3,5,8-10,12H2,1-2H3,(H,18,20).
What are the key properties of 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide?
3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide is sourced from PubChem (CID 106871637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).