N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide

C16H23N3O3 — CID 94817476

IUPACN-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide
SMILESCC[C@@H](O)CN(CC(=O)NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-2-14(20)10-19(13-6-4-3-5-7-13)11-15(21)18-16(22)17-12-8-9-12/h3-7,12,14,20H,2,8-11H2,1H3,(H2,17,18,21,22)/t14-/m1/s1
InChIKeyGOVGGNWPOLFNRD-CQSZACIVSA-N
MW305.38 g/mol
LogP1.25
Rot. Bonds7

About N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide

N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide (PubChem CID 94817476) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide
PubChem CID94817476
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide
SMILESCC[C@@H](O)CN(CC(=O)NC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-2-14(20)10-19(13-6-4-3-5-7-13)11-15(21)18-16(22)17-12-8-9-12/h3-7,12,14,20H,2,8-11H2,1H3,(H2,17,18,21,22)/t14-/m1/s1
InChIKeyGOVGGNWPOLFNRD-CQSZACIVSA-N
XLogP1.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 51108555
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
1-(azepan-1-yl)-2-[N-(2-hydroxybutyl)anilino]ethanone
CID 110919057
2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 41479536
N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919043
N-(cyclopropylmethyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide
CID 52910290
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898048
N-(cyclopropylcarbamoyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 36962774
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 60505976
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
1-(N-butylanilino)butan-2-ol
CID 63102235
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide (CID 94817476) is N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide is CC[C@@H](O)CN(CC(=O)NC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide?
The InChIKey is GOVGGNWPOLFNRD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-14(20)10-19(13-6-4-3-5-7-13)11-15(21)18-16(22)17-12-8-9-12/h3-7,12,14,20H,2,8-11H2,1H3,(H2,17,18,21,22)/t14-/m1/s1.
What are the key properties of N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide?
N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide is sourced from PubChem (CID 94817476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).