1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea

C14H20N4O2 — CID 106197622

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
SMILESCNC(C)c1cccc(NC(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C14H20N4O2/c1-9(15-2)10-4-3-5-11(6-10)17-14(20)18-12-7-13(19)16-8-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyLHGPNPIAQPNZDN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds4

About 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea

1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea (PubChem CID 106197622) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
PubChem CID106197622
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
SMILESCNC(C)c1cccc(NC(=O)NC2CNC(=O)C2)c1
InChIInChI=1S/C14H20N4O2/c1-9(15-2)10-4-3-5-11(6-10)17-14(20)18-12-7-13(19)16-8-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyLHGPNPIAQPNZDN-UHFFFAOYSA-N
XLogP0.98
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
CID 114539731
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 75523060
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
4-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191950
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-[3-[1-(methylamino)ethyl]phenyl]-3-(2-methylpentan-3-yl)urea
CID 61471463

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea (CID 106197622) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea is CNC(C)c1cccc(NC(=O)NC2CNC(=O)C2)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea?
The InChIKey is LHGPNPIAQPNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(15-2)10-4-3-5-11(6-10)17-14(20)18-12-7-13(19)16-8-12/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea has a molecular weight of 276.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 106197622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).