N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide

C14H20N2O — CID 79278946

IUPACN-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-9-15-11-14(17)16-12(2)10-13-7-5-4-6-8-13/h3-8,12,15H,1,9-11H2,2H3,(H,16,17)
InChIKeyOVSIFFNHEINIKZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.51
Rot. Bonds7

About N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide

N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79278946) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79278946
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-9-15-11-14(17)16-12(2)10-13-7-5-4-6-8-13/h3-8,12,15H,1,9-11H2,2H3,(H,16,17)
InChIKeyOVSIFFNHEINIKZ-UHFFFAOYSA-N
XLogP1.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81379898
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide (CID 79278946) is N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)Cc1ccccc1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is OVSIFFNHEINIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-9-15-11-14(17)16-12(2)10-13-7-5-4-6-8-13/h3-8,12,15H,1,9-11H2,2H3,(H,16,17).
What are the key properties of N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide?
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).