4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide

C17H26N2O2 — CID 64761864

IUPAC4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
SMILESCC1CCCC(Nc2ccc(C(=O)NCCO)cc2)C1C
InChIInChI=1S/C17H26N2O2/c1-12-4-3-5-16(13(12)2)19-15-8-6-14(7-9-15)17(21)18-10-11-20/h6-9,12-13,16,19-20H,3-5,10-11H2,1-2H3,(H,18,21)
InChIKeyKSMDCZKWYCDOPV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds5

About 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide

4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 64761864) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
PubChem CID64761864
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
SMILESCC1CCCC(Nc2ccc(C(=O)NCCO)cc2)C1C
InChIInChI=1S/C17H26N2O2/c1-12-4-3-5-16(13(12)2)19-15-8-6-14(7-9-15)17(21)18-10-11-20/h6-9,12-13,16,19-20H,3-5,10-11H2,1-2H3,(H,18,21)
InChIKeyKSMDCZKWYCDOPV-UHFFFAOYSA-N
XLogP2.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-4-[(2-methylcyclopentyl)amino]benzamide
CID 65043901
4-chloro-N-[3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 11920009
1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
CID 64761262
4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
CID 79731100
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
4-(difluoromethoxy)-N-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]benzamide
CID 11919811
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
2-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
CID 64762398
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
N-(2-methylcyclopentyl)-4-(propylamino)benzamide
CID 63279400

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide (CID 64761864) is 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide is CC1CCCC(Nc2ccc(C(=O)NCCO)cc2)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is KSMDCZKWYCDOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-4-3-5-16(13(12)2)19-15-8-6-14(7-9-15)17(21)18-10-11-20/h6-9,12-13,16,19-20H,3-5,10-11H2,1-2H3,(H,18,21).
What are the key properties of 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide?
4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 64761864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).