[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate

C22H24N2O4 — CID 42039111

IUPAC[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C22H24N2O4/c1-13-9-14(2)20(15(3)10-13)22(27)28-12-19(25)23-18-6-4-5-16(11-18)21(26)24-17-7-8-17/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQIUKZJDDKAYDLS-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.30
Rot. Bonds6

About [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate (PubChem CID 42039111) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
PubChem CID42039111
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C22H24N2O4/c1-13-9-14(2)20(15(3)10-13)22(27)28-12-19(25)23-18-6-4-5-16(11-18)21(26)24-17-7-8-17/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQIUKZJDDKAYDLS-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 24567536
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
CID 18280184
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 46668098
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24669655
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
CID 42151008

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate (CID 42039111) is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1.
What is the InChIKey of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The InChIKey is QIUKZJDDKAYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-9-14(2)20(15(3)10-13)22(27)28-12-19(25)23-18-6-4-5-16(11-18)21(26)24-17-7-8-17/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate has a molecular weight of 380.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 42039111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).