N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide

C13H16N2O2 — CID 78908291

IUPACN-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C13H16N2O2/c1-3-7-14-9-13(17)15-12-6-4-5-11(8-12)10(2)16/h3-6,8,14H,1,7,9H2,2H3,(H,15,17)
InChIKeyLUNFKWLORFYVIV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.60
Rot. Bonds6

About N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide

N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78908291) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID78908291
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C13H16N2O2/c1-3-7-14-9-13(17)15-12-6-4-5-11(8-12)10(2)16/h3-6,8,14H,1,7,9H2,2H3,(H,15,17)
InChIKeyLUNFKWLORFYVIV-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818464
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]butanoic acid
CID 43473711
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 79285096
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285957
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide (CID 78908291) is N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is LUNFKWLORFYVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-7-14-9-13(17)15-12-6-4-5-11(8-12)10(2)16/h3-6,8,14H,1,7,9H2,2H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide?
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).