N-(1-cyanopropan-2-yl)-3-phenylpropanamide

C13H16N2O — CID 62089584

IUPACN-(1-cyanopropan-2-yl)-3-phenylpropanamide
SMILESCC(CC#N)NC(=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-11(9-10-14)15-13(16)8-7-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,16)
InChIKeyTXXJEWRGBDWOTJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.04
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-3-phenylpropanamide

N-(1-cyanopropan-2-yl)-3-phenylpropanamide (PubChem CID 62089584) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-phenylpropanamide
PubChem CID62089584
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1-cyanopropan-2-yl)-3-phenylpropanamide
SMILESCC(CC#N)NC(=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-11(9-10-14)15-13(16)8-7-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,16)
InChIKeyTXXJEWRGBDWOTJ-UHFFFAOYSA-N
XLogP2.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
CID 145021408
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
CID 78991804
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-phenylpropanamide (CID 62089584) is N-(1-cyanopropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-phenylpropanamide is CC(CC#N)NC(=O)CCc1ccccc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-phenylpropanamide?
The InChIKey is TXXJEWRGBDWOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(9-10-14)15-13(16)8-7-12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H,15,16).
What are the key properties of N-(1-cyanopropan-2-yl)-3-phenylpropanamide?
N-(1-cyanopropan-2-yl)-3-phenylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 62089584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).