[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C22H23N3O5 — CID 9364162

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C22H23N3O5/c1-14-5-4-6-15(11-14)21(28)23-12-20(27)30-13-19(26)25-18-8-3-2-7-17(18)22(29)24-16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyAPMCVGPPFVAYRW-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.80
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 9364162) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID9364162
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C22H23N3O5/c1-14-5-4-6-15(11-14)21(28)23-12-20(27)30-13-19(26)25-18-8-3-2-7-17(18)22(29)24-16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26)
InChIKeyAPMCVGPPFVAYRW-UHFFFAOYSA-N
XLogP1.80
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31145082
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364103
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 35947495
N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
CID 17191566
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815364
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 7838966
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 46789752

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 9364162) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is APMCVGPPFVAYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-5-4-6-15(11-14)21(28)23-12-20(27)30-13-19(26)25-18-8-3-2-7-17(18)22(29)24-16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,28)(H,24,29)(H,25,26).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 409.44 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 9364162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).