N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide

C16H20N2O2 — CID 106201586

IUPACN-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide
SMILESN#Cc1cccc(NC(=O)CCCOCCC2CC2)c1
InChIInChI=1S/C16H20N2O2/c17-12-14-3-1-4-15(11-14)18-16(19)5-2-9-20-10-8-13-6-7-13/h1,3-4,11,13H,2,5-10H2,(H,18,19)
InChIKeyBAWGHQBEMUATTE-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.09
Rot. Bonds8

About N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide

N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide (PubChem CID 106201586) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide
PubChem CID106201586
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide
SMILESN#Cc1cccc(NC(=O)CCCOCCC2CC2)c1
InChIInChI=1S/C16H20N2O2/c17-12-14-3-1-4-15(11-14)18-16(19)5-2-9-20-10-8-13-6-7-13/h1,3-4,11,13H,2,5-10H2,(H,18,19)
InChIKeyBAWGHQBEMUATTE-UHFFFAOYSA-N
XLogP3.09
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
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-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)octanamide
CID 4958584
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446104
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
N-(3-cyanophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326511
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
N-(3-cyanophenyl)-4-(3-methoxypropylsulfinyl)butanamide
CID 64690023
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 64699381
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide (CID 106201586) is N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide is N#Cc1cccc(NC(=O)CCCOCCC2CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide?
The InChIKey is BAWGHQBEMUATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-12-14-3-1-4-15(11-14)18-16(19)5-2-9-20-10-8-13-6-7-13/h1,3-4,11,13H,2,5-10H2,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide?
N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide has a molecular weight of 272.35 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide is sourced from PubChem (CID 106201586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).