[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate

C21H22N2O4 — CID 8535606

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C21H22N2O4/c1-13-7-8-14(2)17(11-13)21(26)27-12-19(24)23-18-6-4-3-5-16(18)20(25)22-15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRNEPRKHPVKZHJT-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.99
Rot. Bonds6

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 8535606) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID8535606
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C21H22N2O4/c1-13-7-8-14(2)17(11-13)21(26)27-12-19(24)23-18-6-4-3-5-16(18)20(25)22-15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRNEPRKHPVKZHJT-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878545
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815364
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913060
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725538
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847533
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate (CID 8535606) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is RNEPRKHPVKZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-7-8-14(2)17(11-13)21(26)27-12-19(24)23-18-6-4-3-5-16(18)20(25)22-15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 366.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 8535606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).