[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

C18H21F2N3O5 — CID 30317027

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)NC(=O)NC1CCCC1
InChIInChI=1S/C18H21F2N3O5/c19-11-5-6-13(14(20)9-11)17(26)21-8-7-16(25)28-10-15(24)23-18(27)22-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,21,26)(H2,22,23,24,27)
InChIKeyUJNQIAMKCPOKIN-UHFFFAOYSA-N
MW397.38 g/mol
LogP1.40
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (PubChem CID 30317027) has the molecular formula C18H21F2N3O5 and a molecular weight of 397.38 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
PubChem CID30317027
Molecular FormulaC18H21F2N3O5
Molecular Weight397.38 g/mol
Exact Mass397.14
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)NC(=O)NC1CCCC1
InChIInChI=1S/C18H21F2N3O5/c19-11-5-6-13(14(20)9-11)17(26)21-8-7-16(25)28-10-15(24)23-18(27)22-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,21,26)(H2,22,23,24,27)
InChIKeyUJNQIAMKCPOKIN-UHFFFAOYSA-N
XLogP1.40
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate with MolForge

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Related Compounds

N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816277
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(2,4-difluorobenzoyl)amino]butanoate
CID 30319864
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30315978
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 34715649
[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316908

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (CID 30317027) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is O=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The InChIKey is UJNQIAMKCPOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O5/c19-11-5-6-13(14(20)9-11)17(26)21-8-7-16(25)28-10-15(24)23-18(27)22-12-3-1-2-4-12/h5-6,9,12H,1-4,7-8,10H2,(H,21,26)(H2,22,23,24,27).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate has a molecular weight of 397.38 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is sourced from PubChem (CID 30317027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).