3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea

C18H27N3O2 — CID 7513595

IUPAC3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-4-10-20(11-5-2)18(23)19-15-12-17(22)21(13-15)16-8-6-14(3)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeySGIFDIUFZGQVQT-OAHLLOKOSA-N
MW317.43 g/mol
LogP2.93
Rot. Bonds6

About 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea

3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea (PubChem CID 7513595) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
PubChem CID7513595
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-4-10-20(11-5-2)18(23)19-15-12-17(22)21(13-15)16-8-6-14(3)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeySGIFDIUFZGQVQT-OAHLLOKOSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea 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-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
1,1-bis(2-chloroethyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970247
1,1-bis(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969513
1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969498
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
1-cyclohexyl-1-methyl-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16801412
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
1-[2-(dimethylamino)ethyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513746
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
CID 7548497
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 122445967
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
The IUPAC name of 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea (CID 7513595) is 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea.
What is the SMILES notation for 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
The canonical SMILES for 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea is CCCN(CCC)C(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
The InChIKey is SGIFDIUFZGQVQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-10-20(11-5-2)18(23)19-15-12-17(22)21(13-15)16-8-6-14(3)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea?
3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea has a molecular weight of 317.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea is sourced from PubChem (CID 7513595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).