N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide

C14H17NO2 — CID 84571475

IUPACN-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(C)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-4-10-15(12(3)16)11(2)14(17)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3
InChIKeyHENKQYLDFCVNCD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds5

About N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide

N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide (PubChem CID 84571475) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
PubChem CID84571475
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(C)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-4-10-15(12(3)16)11(2)14(17)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3
InChIKeyHENKQYLDFCVNCD-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(methyl)amino]-1-phenylpropan-1-one
CID 43794825
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
2-[methyl(pentan-3-yl)amino]-1-phenylpropan-1-one
CID 43796822
3-methylbutyl 2-[acetyl(prop-2-enyl)amino]propanoate
CID 84571241
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
[bis(prop-2-enyl)amino] benzoate
CID 11715496
(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
CID 101163136
[acetyl(hex-5-en-2-yl)amino] benzoate
CID 100963835
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide (CID 84571475) is N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide is C=CCN(C(C)=O)C(C)C(=O)c1ccccc1.
What is the InChIKey of N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide?
The InChIKey is HENKQYLDFCVNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-15(12(3)16)11(2)14(17)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3.
What are the key properties of N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide?
N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide has a molecular weight of 231.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-phenylpropan-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 84571475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).