[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate

C23H32N2O4 — CID 42151008

IUPAC[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C23H32N2O4/c1-2-3-5-16-8-10-17(11-9-16)23(28)29-15-21(26)24-20-7-4-6-18(14-20)22(27)25-19-12-13-19/h4,6-7,14,16-17,19H,2-3,5,8-13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyPXJHCTQLVHJHNG-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.06
Rot. Bonds9

About [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate (PubChem CID 42151008) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
PubChem CID42151008
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C23H32N2O4/c1-2-3-5-16-8-10-17(11-9-16)23(28)29-15-21(26)24-20-7-4-6-18(14-20)22(27)25-19-12-13-19/h4,6-7,14,16-17,19H,2-3,5,8-13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyPXJHCTQLVHJHNG-UHFFFAOYSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 46668098
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
CID 18280184
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate (CID 42151008) is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1.
What is the InChIKey of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate?
The InChIKey is PXJHCTQLVHJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-2-3-5-16-8-10-17(11-9-16)23(28)29-15-21(26)24-20-7-4-6-18(14-20)22(27)25-19-12-13-19/h4,6-7,14,16-17,19H,2-3,5,8-13,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate?
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 4.06, 9 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] 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 42151008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).