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

C17H25N3O3 — CID 110367243

IUPAC1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
SMILESCCN(CC)C(=O)NCC1CN(c2ccc(C)cc2)C(=O)CO1
InChIInChI=1S/C17H25N3O3/c1-4-19(5-2)17(22)18-10-15-11-20(16(21)12-23-15)14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyYCCWGRUMQJAURJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.78
Rot. Bonds5

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

1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea (PubChem CID 110367243) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
PubChem CID110367243
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
SMILESCCN(CC)C(=O)NCC1CN(c2ccc(C)cc2)C(=O)CO1
InChIInChI=1S/C17H25N3O3/c1-4-19(5-2)17(22)18-10-15-11-20(16(21)12-23-15)14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyYCCWGRUMQJAURJ-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367747
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
2,4-dimethyl-N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367262
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzamide
CID 110367930
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea (CID 110367243) is 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea is CCN(CC)C(=O)NCC1CN(c2ccc(C)cc2)C(=O)CO1.
What is the InChIKey of 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
The InChIKey is YCCWGRUMQJAURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-19(5-2)17(22)18-10-15-11-20(16(21)12-23-15)14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3,(H,18,22).
What are the key properties of 1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea?
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.78, 5 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-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea is sourced from PubChem (CID 110367243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).