N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide

C14H18N2O — CID 6421727

IUPACN-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(=O)N(CCC#N)C(C)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-12(11-14-7-4-3-5-8-14)16(13(2)17)10-6-9-15/h3-5,7-8,12H,6,10-11H2,1-2H3
InChIKeyLGTWONHGARGBKH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds5

About N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide

N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 6421727) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide
PubChem CID6421727
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(=O)N(CCC#N)C(C)Cc1ccccc1
InChIInChI=1S/C14H18N2O/c1-12(11-14-7-4-3-5-8-14)16(13(2)17)10-6-9-15/h3-5,7-8,12H,6,10-11H2,1-2H3
InChIKeyLGTWONHGARGBKH-UHFFFAOYSA-N
XLogP2.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 104904779
4-benzyl-5-methylhexanenitrile
CID 67965044
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
CID 60977397
2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide
CID 78822383
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamoyl chloride
CID 10823679
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
3-[2-methylpropyl-(2-oxo-3-phenylpropyl)amino]propanenitrile
CID 62051467
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
[1-hydroxy-2-[methyl(1-phenylpropan-2-yl)amino]ethyl] acetate
CID 3028283

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide (CID 6421727) is N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide is CC(=O)N(CCC#N)C(C)Cc1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is LGTWONHGARGBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12(11-14-7-4-3-5-8-14)16(13(2)17)10-6-9-15/h3-5,7-8,12H,6,10-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide?
N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 6421727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).