N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide

C18H27N3O3 — CID 95313685

IUPACN-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1C(=O)NCCO
InChIInChI=1S/C18H27N3O3/c1-13-6-2-4-8-15(13)21-17(23)12-20-16-9-5-3-7-14(16)18(24)19-10-11-22/h3,5,7,9,13,15,20,22H,2,4,6,8,10-12H2,1H3,(H,19,24)(H,21,23)/t13-,15+/m1/s1
InChIKeyCOTXYNQZNLSTFF-HIFRSBDPSA-N
MW333.43 g/mol
LogP1.52
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide

N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide (PubChem CID 95313685) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide
PubChem CID95313685
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1C(=O)NCCO
InChIInChI=1S/C18H27N3O3/c1-13-6-2-4-8-15(13)21-17(23)12-20-16-9-5-3-7-14(16)18(24)19-10-11-22/h3,5,7,9,13,15,20,22H,2,4,6,8,10-12H2,1H3,(H,19,24)(H,21,23)/t13-,15+/m1/s1
InChIKeyCOTXYNQZNLSTFF-HIFRSBDPSA-N
XLogP1.52
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-bromobenzoyl)amino]acetate
CID 8573104
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(butylamino)benzoate
CID 2613832
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide (CID 95313685) is N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide is C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide?
The InChIKey is COTXYNQZNLSTFF-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-6-2-4-8-15(13)21-17(23)12-20-16-9-5-3-7-14(16)18(24)19-10-11-22/h3,5,7,9,13,15,20,22H,2,4,6,8,10-12H2,1H3,(H,19,24)(H,21,23)/t13-,15+/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide?
N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 95313685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).