methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate

C18H17NO4 — CID 2933415

IUPACmethyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
SMILESCOC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H17NO4/c1-22-15-10-8-14(9-11-15)17(20)19-16(18(21)23-2)12-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20)
InChIKeyGYCMYSAREVHBPH-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate

methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate (PubChem CID 2933415) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
PubChem CID2933415
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
SMILESCOC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H17NO4/c1-22-15-10-8-14(9-11-15)17(20)19-16(18(21)23-2)12-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20)
InChIKeyGYCMYSAREVHBPH-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.64
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

(2S)-2-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoic acid
CID 2279565
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
CID 2178690
4-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoate
CID 7381277
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
N-[(Z)-3-(2-methoxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2232798
(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148719
ethyl 4-[[(E)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 5430854
3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 7376056
methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
CID 2179635

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate?
The IUPAC name of methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate (CID 2933415) is methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate.
What is the SMILES notation for methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate?
The canonical SMILES for methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate is COC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate?
The InChIKey is GYCMYSAREVHBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-15-10-8-14(9-11-15)17(20)19-16(18(21)23-2)12-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20).
What are the key properties of methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate?
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate has a molecular weight of 311.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 2933415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).