3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide

C14H18N2O — CID 94685245

IUPAC3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(CCNC(=O)CCC#N)cc1
InChIInChI=1S/C14H18N2O/c1-2-12-5-7-13(8-6-12)9-11-16-14(17)4-3-10-15/h5-8H,2-4,9,11H2,1H3,(H,16,17)
InChIKeyLDTZOPGQAJNYFV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.21
Rot. Bonds6

About 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide

3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide (PubChem CID 94685245) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
PubChem CID94685245
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(CCNC(=O)CCC#N)cc1
InChIInChI=1S/C14H18N2O/c1-2-12-5-7-13(8-6-12)9-11-16-14(17)4-3-10-15/h5-8H,2-4,9,11H2,1H3,(H,16,17)
InChIKeyLDTZOPGQAJNYFV-UHFFFAOYSA-N
XLogP2.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-3-cyanopropanamide
CID 94701975
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
4-[2-(4-ethylphenyl)ethylamino]butanenitrile
CID 115231880
3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115173941
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide (CID 94685245) is 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(CCNC(=O)CCC#N)cc1.
What is the InChIKey of 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is LDTZOPGQAJNYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-12-5-7-13(8-6-12)9-11-16-14(17)4-3-10-15/h5-8H,2-4,9,11H2,1H3,(H,16,17).
What are the key properties of 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide?
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 230.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 94685245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).