methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate

C18H17NO4 — CID 53285181

IUPACmethyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
SMILESC=CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C18H17NO4/c1-3-11-23-16-9-7-13(8-10-16)17(20)19-15-6-4-5-14(12-15)18(21)22-2/h3-10,12H,1,11H2,2H3,(H,19,20)
InChIKeyVPHJOULJVGRDIW-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.29
Rot. Bonds6

About methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate

methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate (PubChem CID 53285181) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
PubChem CID53285181
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
SMILESC=CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C18H17NO4/c1-3-11-23-16-9-7-13(8-10-16)17(20)19-15-6-4-5-14(12-15)18(21)22-2/h3-10,12H,1,11H2,2H3,(H,19,20)
InChIKeyVPHJOULJVGRDIW-UHFFFAOYSA-N
XLogP3.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
methyl 3-[(3-prop-2-enoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175695
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate (CID 53285181) is methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate is C=CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate?
The InChIKey is VPHJOULJVGRDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-11-23-16-9-7-13(8-10-16)17(20)19-15-6-4-5-14(12-15)18(21)22-2/h3-10,12H,1,11H2,2H3,(H,19,20).
What are the key properties of methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate?
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate has a molecular weight of 311.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate is sourced from PubChem (CID 53285181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).