ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate

C19H20N2O4 — CID 17251680

IUPACethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-18(23)12-17(22)20-14-8-10-15(11-9-14)21-19(24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyXZLHITFZCQHBAY-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.14
Rot. Bonds6

About ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate

ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate (PubChem CID 17251680) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
PubChem CID17251680
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-18(23)12-17(22)20-14-8-10-15(11-9-14)21-19(24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyXZLHITFZCQHBAY-UHFFFAOYSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
ethyl 3-anilino-3-oxopropanoate
CID 3016808
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
ethyl 4-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate
CID 4502833
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17252370
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782234
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate (CID 17251680) is ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate?
The InChIKey is XZLHITFZCQHBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-18(23)12-17(22)20-14-8-10-15(11-9-14)21-19(24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate?
ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate has a molecular weight of 340.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate is sourced from PubChem (CID 17251680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).