N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide

C15H13N3O2 — CID 151838842

IUPACN-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC(=O)c1ncccn1
InChIInChI=1S/C15H13N3O2/c19-13(15-16-9-4-10-17-15)11-18-14(20)8-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20)
InChIKeySGFRNSJLTCDUSC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.49
Rot. Bonds5

About N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide

N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide (PubChem CID 151838842) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
PubChem CID151838842
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC(=O)c1ncccn1
InChIInChI=1S/C15H13N3O2/c19-13(15-16-9-4-10-17-15)11-18-14(20)8-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20)
InChIKeySGFRNSJLTCDUSC-UHFFFAOYSA-N
XLogP1.49
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
CID 10246976
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide (CID 151838842) is N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NCC(=O)c1ncccn1.
What is the InChIKey of N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide?
The InChIKey is SGFRNSJLTCDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-13(15-16-9-4-10-17-15)11-18-14(20)8-7-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,20).
What are the key properties of N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide?
N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide has a molecular weight of 267.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrimidin-2-ylethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 151838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).