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

C25H34N4O2 — CID 78890347

IUPAC1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCCN(CC)C(CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)Cc1ccccc1
InChIInChI=1S/C25H34N4O2/c1-3-28(4-2)23(17-20-9-6-5-7-10-20)18-26-25(31)27-22-14-12-21(13-15-22)19-29-16-8-11-24(29)30/h5-7,9-10,12-15,23H,3-4,8,11,16-19H2,1-2H3,(H2,26,27,31)
InChIKeyYONDFYDMQNYXRL-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.88
Rot. Bonds10

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

1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (PubChem CID 78890347) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
PubChem CID78890347
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
SMILESCCN(CC)C(CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)Cc1ccccc1
InChIInChI=1S/C25H34N4O2/c1-3-28(4-2)23(17-20-9-6-5-7-10-20)18-26-25(31)27-22-14-12-21(13-15-22)19-29-16-8-11-24(29)30/h5-7,9-10,12-15,23H,3-4,8,11,16-19H2,1-2H3,(H2,26,27,31)
InChIKeyYONDFYDMQNYXRL-UHFFFAOYSA-N
XLogP3.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)-4-methylpentyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78887435
1-[(2S)-2-(diethylamino)-3-phenylpropyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
CID 51945319
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
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
2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 111536754
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421
1-amino-N-[2-(diethylamino)-3-phenylpropyl]cyclopentane-1-carboxamide
CID 119849960
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
2-[2-(diethylamino)-3-phenylpropyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147792
1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78891165
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea (CID 78890347) is 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is CCN(CC)C(CNC(=O)Nc1ccc(CN2CCCC2=O)cc1)Cc1ccccc1.
What is the InChIKey of 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
The InChIKey is YONDFYDMQNYXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-3-28(4-2)23(17-20-9-6-5-7-10-20)18-26-25(31)27-22-14-12-21(13-15-22)19-29-16-8-11-24(29)30/h5-7,9-10,12-15,23H,3-4,8,11,16-19H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea?
1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea has a molecular weight of 422.57 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-3-phenylpropyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 78890347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).