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

C24H32N4O2 — CID 17489033

IUPAC1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESCCN(CC)Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H32N4O2/c1-3-27(4-2)18-21-9-7-19(8-10-21)16-25-24(30)26-17-20-11-13-22(14-12-20)28-15-5-6-23(28)29/h7-14H,3-6,15-18H2,1-2H3,(H2,25,26,30)
InChIKeyRPZFULNSWDUNNB-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.65
Rot. Bonds9

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

1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 17489033) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID17489033
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESCCN(CC)Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H32N4O2/c1-3-27(4-2)18-21-9-7-19(8-10-21)16-25-24(30)26-17-20-11-13-22(14-12-20)28-15-5-6-23(28)29/h7-14H,3-6,15-18H2,1-2H3,(H2,25,26,30)
InChIKeyRPZFULNSWDUNNB-UHFFFAOYSA-N
XLogP3.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]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

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
1-[[4-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413863
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9073524
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36521056
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 52527330
N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 17489033) is 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is CCN(CC)Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is RPZFULNSWDUNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-27(4-2)18-21-9-7-19(8-10-21)16-25-24(30)26-17-20-11-13-22(14-12-20)28-15-5-6-23(28)29/h7-14H,3-6,15-18H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 408.55 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 17489033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).