N-benzyl-N-(2-cyanoethyl)butanamide

C14H18N2O — CID 43911640

IUPACN-benzyl-N-(2-cyanoethyl)butanamide
SMILESCCCC(=O)N(CCC#N)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-2-7-14(17)16(11-6-10-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,11-12H2,1H3
InChIKeyKSVAANTUSYYIMG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.73
Rot. Bonds6

About N-benzyl-N-(2-cyanoethyl)butanamide

N-benzyl-N-(2-cyanoethyl)butanamide (PubChem CID 43911640) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)butanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)butanamide
PubChem CID43911640
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-benzyl-N-(2-cyanoethyl)butanamide
SMILESCCCC(=O)N(CCC#N)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-2-7-14(17)16(11-6-10-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,11-12H2,1H3
InChIKeyKSVAANTUSYYIMG-UHFFFAOYSA-N
XLogP2.73
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
CID 43911774
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
4-amino-N-benzyl-N-propylbutanamide
CID 43588666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)butanamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)butanamide (CID 43911640) is N-benzyl-N-(2-cyanoethyl)butanamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)butanamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)butanamide is CCCC(=O)N(CCC#N)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)butanamide?
The InChIKey is KSVAANTUSYYIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-7-14(17)16(11-6-10-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,11-12H2,1H3.
What are the key properties of N-benzyl-N-(2-cyanoethyl)butanamide?
N-benzyl-N-(2-cyanoethyl)butanamide has a molecular weight of 230.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)butanamide is sourced from PubChem (CID 43911640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).