[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C20H22N2O5 — CID 55525398

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccco1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H22N2O5/c23-17(22-19(15-8-9-15)14-5-2-1-3-6-14)13-27-18(24)10-11-21-20(25)16-7-4-12-26-16/h1-7,12,15,19H,8-11,13H2,(H,21,25)(H,22,23)
InChIKeyUCZVHUHSACJKRD-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.21
Rot. Bonds9

About [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 55525398) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID55525398
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccco1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C20H22N2O5/c23-17(22-19(15-8-9-15)14-5-2-1-3-6-14)13-27-18(24)10-11-21-20(25)16-7-4-12-26-16/h1-7,12,15,19H,8-11,13H2,(H,21,25)(H,22,23)
InChIKeyUCZVHUHSACJKRD-UHFFFAOYSA-N
XLogP2.21
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39594557
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909262
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55541862
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
N-[4-[[(S)-cyclopentyl-(4-fluorophenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51951505
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55525266
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
CID 7909212

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 55525398) is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is O=C(COC(=O)CCNC(=O)c1ccco1)NC(c1ccccc1)C1CC1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is UCZVHUHSACJKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-17(22-19(15-8-9-15)14-5-2-1-3-6-14)13-27-18(24)10-11-21-20(25)16-7-4-12-26-16/h1-7,12,15,19H,8-11,13H2,(H,21,25)(H,22,23).
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 370.41 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 55525398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).