1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

C22H36N4O2 — CID 78887435

IUPAC1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCCN(CC)C(CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)CC(C)C
InChIInChI=1S/C22H36N4O2/c1-5-25(6-2)20(14-17(3)4)15-23-22(28)24-19-11-9-18(10-12-19)16-26-13-7-8-21(26)27/h9-12,17,20H,5-8,13-16H2,1-4H3,(H2,23,24,28)
InChIKeyLQLUANFFTKOJRZ-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.69
Rot. Bonds10

About 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea

1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (PubChem CID 78887435) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
PubChem CID78887435
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCCN(CC)C(CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)CC(C)C
InChIInChI=1S/C22H36N4O2/c1-5-25(6-2)20(14-17(3)4)15-23-22(28)24-19-11-9-18(10-12-19)16-26-13-7-8-21(26)27/h9-12,17,20H,5-8,13-16H2,1-4H3,(H2,23,24,28)
InChIKeyLQLUANFFTKOJRZ-UHFFFAOYSA-N
XLogP3.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea with MolForge

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Related Compounds

1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890347
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892306
1-[1-(4-bromophenyl)propan-2-yl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 112838043
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
N-cyclopropyl-N-ethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86922752
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
CID 94783682
(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
CID 119362065
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
1-[(2S)-2-(diethylamino)-4-methylpentyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 51944228
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (CID 78887435) is 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is CCN(CC)C(CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)CC(C)C.
What is the InChIKey of 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The InChIKey is LQLUANFFTKOJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-5-25(6-2)20(14-17(3)4)15-23-22(28)24-19-11-9-18(10-12-19)16-26-13-7-8-21(26)27/h9-12,17,20H,5-8,13-16H2,1-4H3,(H2,23,24,28).
What are the key properties of 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea has a molecular weight of 388.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 78887435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).