1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea

C18H27N3O3 — CID 110367747

IUPAC1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
SMILESCCc1ccc(N2CC(CNC(=O)N(CC)CC)OCC2=O)cc1
InChIInChI=1S/C18H27N3O3/c1-4-14-7-9-15(10-8-14)21-12-16(24-13-17(21)22)11-19-18(23)20(5-2)6-3/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,23)
InChIKeyHCOKCZTZWZAVOL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds6

About 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea

1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea (PubChem CID 110367747) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
PubChem CID110367747
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
SMILESCCc1ccc(N2CC(CNC(=O)N(CC)CC)OCC2=O)cc1
InChIInChI=1S/C18H27N3O3/c1-4-14-7-9-15(10-8-14)21-12-16(24-13-17(21)22)11-19-18(23)20(5-2)6-3/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,23)
InChIKeyHCOKCZTZWZAVOL-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]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

1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110367768
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea (CID 110367747) is 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea is CCc1ccc(N2CC(CNC(=O)N(CC)CC)OCC2=O)cc1.
What is the InChIKey of 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The InChIKey is HCOKCZTZWZAVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-14-7-9-15(10-8-14)21-12-16(24-13-17(21)22)11-19-18(23)20(5-2)6-3/h7-10,16H,4-6,11-13H2,1-3H3,(H,19,23).
What are the key properties of 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea has a molecular weight of 333.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea is sourced from PubChem (CID 110367747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).