1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C15H21N3O3 — CID 7513218

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCCN(CCO)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O3/c1-2-17(8-9-19)15(21)16-12-10-14(20)18(11-12)13-6-4-3-5-7-13/h3-7,12,19H,2,8-11H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyXPMVNJUMMRSYCC-LBPRGKRZSA-N
MW291.35 g/mol
LogP0.82
Rot. Bonds5

About 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513218) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513218
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCCN(CCO)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C15H21N3O3/c1-2-17(8-9-19)15(21)16-12-10-14(20)18(11-12)13-6-4-3-5-7-13/h3-7,12,19H,2,8-11H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyXPMVNJUMMRSYCC-LBPRGKRZSA-N
XLogP0.82
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969233
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7545625
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-hydroxyethyl)urea
CID 43970107
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7513595
1-[2-(diethylamino)ethyl]-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513356
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513218) is 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is CCN(CCO)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is XPMVNJUMMRSYCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-17(8-9-19)15(21)16-12-10-14(20)18(11-12)13-6-4-3-5-7-13/h3-7,12,19H,2,8-11H2,1H3,(H,16,21)/t12-/m0/s1.
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 291.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).