3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea

C18H27N3O2 — CID 108876584

IUPAC3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-3-10-20(11-4-2)18(23)19-16-12-17(22)21(14-16)13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,23)
InChIKeyLMJZVMOLAQEHAI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.62
Rot. Bonds7

About 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea

3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea (PubChem CID 108876584) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
PubChem CID108876584
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-3-10-20(11-4-2)18(23)19-16-12-17(22)21(14-16)13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,23)
InChIKeyLMJZVMOLAQEHAI-UHFFFAOYSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108876567
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
CID 108876535
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7513595
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108876454
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea?
The IUPAC name of 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea (CID 108876584) is 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea.
What is the SMILES notation for 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea?
The canonical SMILES for 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea is CCCN(CCC)C(=O)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea?
The InChIKey is LMJZVMOLAQEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-20(11-4-2)18(23)19-16-12-17(22)21(14-16)13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,23).
What are the key properties of 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea?
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea has a molecular weight of 317.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea is sourced from PubChem (CID 108876584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).