N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide

C18H26N2O3 — CID 111425941

IUPACN-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(O)C1CCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-13(20-18(23)15-9-3-2-4-10-15)11-17(22)19-12-16(21)14-7-5-6-8-14/h2-4,9-10,13-14,16,21H,5-8,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVFZYBIIBTKOHBG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.86
Rot. Bonds7

About N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide

N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 111425941) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID111425941
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(O)C1CCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-13(20-18(23)15-9-3-2-4-10-15)11-17(22)19-12-16(21)14-7-5-6-8-14/h2-4,9-10,13-14,16,21H,5-8,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVFZYBIIBTKOHBG-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
CID 111425656
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
CID 110888740
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
N-(2-cyclobutyl-2-hydroxyethyl)-3-(2-methoxyphenyl)butanamide
CID 122152186
N-[4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-oxobutan-2-yl]benzamide
CID 24625904

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide (CID 111425941) is N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCC(O)C1CCCC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is VFZYBIIBTKOHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(20-18(23)15-9-3-2-4-10-15)11-17(22)19-12-16(21)14-7-5-6-8-14/h2-4,9-10,13-14,16,21H,5-8,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 111425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).