N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide

C17H23N3O2 — CID 111859993

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
SMILESCC(C#N)(NC(=O)CN(CCCO)c1ccccc1)C1CC1
InChIInChI=1S/C17H23N3O2/c1-17(13-18,14-8-9-14)19-16(22)12-20(10-5-11-21)15-6-3-2-4-7-15/h2-4,6-7,14,21H,5,8-12H2,1H3,(H,19,22)
InChIKeyRZUZIVSCTSVGBQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.68
Rot. Bonds8

About N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide (PubChem CID 111859993) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
PubChem CID111859993
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
SMILESCC(C#N)(NC(=O)CN(CCCO)c1ccccc1)C1CC1
InChIInChI=1S/C17H23N3O2/c1-17(13-18,14-8-9-14)19-16(22)12-20(10-5-11-21)15-6-3-2-4-7-15/h2-4,6-7,14,21H,5,8-12H2,1H3,(H,19,22)
InChIKeyRZUZIVSCTSVGBQ-UHFFFAOYSA-N
XLogP1.68
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 96998431
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 95044031
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[N-(2,2-dimethylpropyl)-4-fluoroanilino]acetamide
CID 97070755
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
N-(1-cyano-1-cyclopropylethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485470
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-hydroxy-2,2-diphenylacetate
CID 7191540
[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-(3-hydroxypropyl)anilino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide (CID 111859993) is N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide is CC(C#N)(NC(=O)CN(CCCO)c1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide?
The InChIKey is RZUZIVSCTSVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(13-18,14-8-9-14)19-16(22)12-20(10-5-11-21)15-6-3-2-4-7-15/h2-4,6-7,14,21H,5,8-12H2,1H3,(H,19,22).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.68, 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-(3-hydroxypropyl)anilino]acetamide is sourced from PubChem (CID 111859993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).