(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide

C18H18N2O3 — CID 35332007

IUPAC(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
SMILESCOCC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-13-18(22)20-16-10-8-15(9-11-16)19-17(21)12-7-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b12-7+
InChIKeyDMEFCADFRZUFOC-KPKJPENVSA-N
MW310.35 g/mol
LogP2.92
Rot. Bonds6

About (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide (PubChem CID 35332007) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
PubChem CID35332007
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
SMILESCOCC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-13-18(22)20-16-10-8-15(9-11-16)19-17(21)12-7-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b12-7+
InChIKeyDMEFCADFRZUFOC-KPKJPENVSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 35334560
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
[2-(4-acetamidoanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991851
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide (CID 35332007) is (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide is COCC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide?
The InChIKey is DMEFCADFRZUFOC-KPKJPENVSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-13-18(22)20-16-10-8-15(9-11-16)19-17(21)12-7-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b12-7+.
What are the key properties of (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 35332007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).