1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea

C22H36N4O2 — CID 7543222

IUPAC1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN(CC)CCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C22H36N4O2/c1-6-25(7-2)12-8-9-18(5)23-22(28)24-19-14-21(27)26(15-19)20-11-10-16(3)17(4)13-20/h10-11,13,18-19H,6-9,12,14-15H2,1-5H3,(H2,23,24,28)/t18-,19+/m1/s1
InChIKeyVSFYMERYQXAWNC-MOPGFXCFSA-N
MW388.56 g/mol
LogP3.22
Rot. Bonds9

About 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea

1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7543222) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7543222
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN(CC)CCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C22H36N4O2/c1-6-25(7-2)12-8-9-18(5)23-22(28)24-19-14-21(27)26(15-19)20-11-10-16(3)17(4)13-20/h10-11,13,18-19H,6-9,12,14-15H2,1-5H3,(H2,23,24,28)/t18-,19+/m1/s1
InChIKeyVSFYMERYQXAWNC-MOPGFXCFSA-N
XLogP3.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea with MolForge

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Related Compounds

1-[(2S)-butan-2-yl]-3-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543103
1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969867
1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546039
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(dipropylamino)propyl]urea
CID 43969662
1-benzhydryl-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543330
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543099
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543097
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-pentylurea
CID 7543385
1-(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969553
(3S)-N-[3-(diethylamino)propyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393210

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 7543222) is 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea is CCN(CC)CCC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is VSFYMERYQXAWNC-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-6-25(7-2)12-8-9-18(5)23-22(28)24-19-14-21(27)26(15-19)20-11-10-16(3)17(4)13-20/h10-11,13,18-19H,6-9,12,14-15H2,1-5H3,(H2,23,24,28)/t18-,19+/m1/s1.
What are the key properties of 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 388.56 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7543222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).