(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide

C14H16N2O2 — CID 9442241

IUPAC(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
SMILESC=CCNC(=O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-10-15-14(18)11-16-13(17)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,15,18)(H,16,17)/b9-8+
InChIKeyBDCQDIDAHDFTQD-CMDGGOBGSA-N
MW244.29 g/mol
LogP1.12
Rot. Bonds6

About (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide (PubChem CID 9442241) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
PubChem CID9442241
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
SMILESC=CCNC(=O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-10-15-14(18)11-16-13(17)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,15,18)(H,16,17)/b9-8+
InChIKeyBDCQDIDAHDFTQD-CMDGGOBGSA-N
XLogP1.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9259120
methyl N-[4-[[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845795
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
CID 151838842
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
2-[[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387528

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide (CID 9442241) is (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide is C=CCNC(=O)CNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide?
The InChIKey is BDCQDIDAHDFTQD-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-10-15-14(18)11-16-13(17)9-8-12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,15,18)(H,16,17)/b9-8+.
What are the key properties of (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9442241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).