2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide

C18H19N3O — CID 31667205

IUPAC2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
SMILESN#Cc1ccc(NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H19N3O/c19-13-16-8-10-17(11-9-16)21-14-18(22)20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,21H,4,7,12,14H2,(H,20,22)
InChIKeyVRVAZQIDJQAJCY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.72
Rot. Bonds7

About 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide

2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 31667205) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
PubChem CID31667205
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
SMILESN#Cc1ccc(NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H19N3O/c19-13-16-8-10-17(11-9-16)21-14-18(22)20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,21H,4,7,12,14H2,(H,20,22)
InChIKeyVRVAZQIDJQAJCY-UHFFFAOYSA-N
XLogP2.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 47007122
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-phenylpropyl)acetamide
CID 29477129
N-[3-(4-cyanophenyl)propyl]-3,3-dihydroxypropanamide
CID 154724556
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
tert-butyl 7-[[2-(4-cyanoanilino)acetyl]amino]heptanoate
CID 10760938
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(4-cyanoanilino)acetamide
CID 111450979
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide (CID 31667205) is 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide is N#Cc1ccc(NCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is VRVAZQIDJQAJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-13-16-8-10-17(11-9-16)21-14-18(22)20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,21H,4,7,12,14H2,(H,20,22).
What are the key properties of 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide?
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 31667205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).