N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

C18H25N3O2 — CID 110924096

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)NC(C)(C#N)C1CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-3-16(22)11-21(15-7-5-4-6-8-15)12-17(23)20-18(2,13-19)14-9-10-14/h4-8,14,16,22H,3,9-12H2,1-2H3,(H,20,23)
InChIKeyTZIVHYZCXDYGRZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.07
Rot. Bonds8

About N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (PubChem CID 110924096) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
PubChem CID110924096
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
SMILESCCC(O)CN(CC(=O)NC(C)(C#N)C1CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-3-16(22)11-21(15-7-5-4-6-8-15)12-17(23)20-18(2,13-19)14-9-10-14/h4-8,14,16,22H,3,9-12H2,1-2H3,(H,20,23)
InChIKeyTZIVHYZCXDYGRZ-UHFFFAOYSA-N
XLogP2.07
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[N-(2,2-dimethylpropyl)-4-fluoroanilino]acetamide
CID 97070755
N-cyclopentyl-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 51108555
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide
CID 94817476
N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111489945
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 95044031
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 96998431
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 8004820
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide (CID 110924096) is N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is CCC(O)CN(CC(=O)NC(C)(C#N)C1CC1)c1ccccc1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
The InChIKey is TZIVHYZCXDYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-16(22)11-21(15-7-5-4-6-8-15)12-17(23)20-18(2,13-19)14-9-10-14/h4-8,14,16,22H,3,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide is sourced from PubChem (CID 110924096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).