1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

C21H26N4O2 — CID 55698993

IUPAC1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN(CCCNC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-24(17-9-3-2-4-10-17)15-8-14-22-21(27)23-18-11-5-6-12-19(18)25-16-7-13-20(25)26/h2-6,9-12H,7-8,13-16H2,1H3,(H2,22,23,27)
InChIKeyWYCGCYONNXKDTI-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.46
Rot. Bonds7

About 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 55698993) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID55698993
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN(CCCNC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H26N4O2/c1-24(17-9-3-2-4-10-17)15-8-14-22-21(27)23-18-11-5-6-12-19(18)25-16-7-13-20(25)26/h2-6,9-12H,7-8,13-16H2,1H3,(H2,22,23,27)
InChIKeyWYCGCYONNXKDTI-UHFFFAOYSA-N
XLogP3.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 52626682
1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 55699026
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 51945595
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[3-(N-methylanilino)propyl]urea
CID 60594806
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 154837816
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 55698993) is 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is CN(CCCNC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1.
What is the InChIKey of 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is WYCGCYONNXKDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(17-9-3-2-4-10-17)15-8-14-22-21(27)23-18-11-5-6-12-19(18)25-16-7-13-20(25)26/h2-6,9-12H,7-8,13-16H2,1H3,(H2,22,23,27).
What are the key properties of 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 366.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55698993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).