[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate

C20H21N3O5 — CID 18141034

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2NC(C)=O)c1
InChIInChI=1S/C20H21N3O5/c1-12-6-4-9-16(18(12)22-13(2)24)20(27)28-11-17(25)23-15-8-5-7-14(10-15)19(26)21-3/h4-10H,11H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyLRCGGCCEBKEEIW-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.11
Rot. Bonds6

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate (PubChem CID 18141034) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
PubChem CID18141034
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2NC(C)=O)c1
InChIInChI=1S/C20H21N3O5/c1-12-6-4-9-16(18(12)22-13(2)24)20(27)28-11-17(25)23-15-8-5-7-14(10-15)19(26)21-3/h4-10H,11H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyLRCGGCCEBKEEIW-UHFFFAOYSA-N
XLogP2.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2336326
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821139
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate (CID 18141034) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate is CNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(C)c2NC(C)=O)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate?
The InChIKey is LRCGGCCEBKEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-6-4-9-16(18(12)22-13(2)24)20(27)28-11-17(25)23-15-8-5-7-14(10-15)19(26)21-3/h4-10H,11H2,1-3H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate has a molecular weight of 383.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate is sourced from PubChem (CID 18141034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).