1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea

C20H27N3O2 — CID 125448033

IUPAC1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCCN1C[C@@H](NC(=O)N(C/C=C/c2ccccc2)C2CC2)CC1=O
InChIInChI=1S/C20H27N3O2/c1-2-12-22-15-17(14-19(22)24)21-20(25)23(18-10-11-18)13-6-9-16-7-4-3-5-8-16/h3-9,17-18H,2,10-15H2,1H3,(H,21,25)/b9-6+/t17-/m0/s1
InChIKeyXOUTZPVZWMEWSJ-NADMHLTPSA-N
MW341.45 g/mol
LogP2.88
Rot. Bonds7

About 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea

1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 125448033) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID125448033
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCCN1C[C@@H](NC(=O)N(C/C=C/c2ccccc2)C2CC2)CC1=O
InChIInChI=1S/C20H27N3O2/c1-2-12-22-15-17(14-19(22)24)21-20(25)23(18-10-11-18)13-6-9-16-7-4-3-5-8-16/h3-9,17-18H,2,10-15H2,1H3,(H,21,25)/b9-6+/t17-/m0/s1
InChIKeyXOUTZPVZWMEWSJ-NADMHLTPSA-N
XLogP2.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 122558093
1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119060843
1-cyclopropyl-3-[(1-ethylpyrazol-4-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119071445
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
CID 134704642
3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
CID 95046973
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731
(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 95553467
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea (CID 125448033) is 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea is CCCN1C[C@@H](NC(=O)N(C/C=C/c2ccccc2)C2CC2)CC1=O.
What is the InChIKey of 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is XOUTZPVZWMEWSJ-NADMHLTPSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-12-22-15-17(14-19(22)24)21-20(25)23(18-10-11-18)13-6-9-16-7-4-3-5-8-16/h3-9,17-18H,2,10-15H2,1H3,(H,21,25)/b9-6+/t17-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea?
1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 341.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 125448033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).