methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate

C19H18N2O6 — CID 57385260

IUPACmethyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H18N2O6/c1-27-17(24)11-10-16(23)20-13-8-6-12(7-9-13)18(25)21-19(26)14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,20,23)(H,21,25,26)
InChIKeyYXSZYKQOZQIHET-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.85
Rot. Bonds6

About methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate

methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate (PubChem CID 57385260) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate
PubChem CID57385260
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namemethyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(C(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H18N2O6/c1-27-17(24)11-10-16(23)20-13-8-6-12(7-9-13)18(25)21-19(26)14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,20,23)(H,21,25,26)
InChIKeyYXSZYKQOZQIHET-UHFFFAOYSA-N
XLogP1.85
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 71595352
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
2-[[4-[(2-hydroxybenzoyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 71595353
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740
methyl 4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobutanoate
CID 17201246
4-O-[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl] 1-O-methyl butanedioate
CID 799819
methyl 4-[4-[[4-[(4-methoxy-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate
CID 2835080
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
2-hydroxy-N-(4-phenylbenzoyl)benzamide
CID 57385750

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate (CID 57385260) is methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc(C(=O)NC(=O)c2ccccc2O)cc1.
What is the InChIKey of methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate?
The InChIKey is YXSZYKQOZQIHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-27-17(24)11-10-16(23)20-13-8-6-12(7-9-13)18(25)21-19(26)14-4-2-3-5-15(14)22/h2-9,22H,10-11H2,1H3,(H,20,23)(H,21,25,26).
What are the key properties of methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate?
methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate has a molecular weight of 370.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoate is sourced from PubChem (CID 57385260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).