N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide

C17H24N2O3 — CID 110367688

IUPACN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CN(c2ccc(CC)cc2)C(=O)CO1
InChIInChI=1S/C17H24N2O3/c1-3-5-16(20)18-10-15-11-19(17(21)12-22-15)14-8-6-13(4-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyWKPGROQYLIDHQQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.90
Rot. Bonds6

About N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide

N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide (PubChem CID 110367688) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
PubChem CID110367688
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CN(c2ccc(CC)cc2)C(=O)CO1
InChIInChI=1S/C17H24N2O3/c1-3-5-16(20)18-10-15-11-19(17(21)12-22-15)14-8-6-13(4-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyWKPGROQYLIDHQQ-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.90
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
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenylpropanamide
CID 110367951
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
CID 116838147
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylbutanamide
CID 110328161

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide?
The IUPAC name of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide (CID 110367688) is N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide?
The canonical SMILES for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide is CCCC(=O)NCC1CN(c2ccc(CC)cc2)C(=O)CO1.
What is the InChIKey of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide?
The InChIKey is WKPGROQYLIDHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-5-16(20)18-10-15-11-19(17(21)12-22-15)14-8-6-13(4-2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide?
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide has a molecular weight of 304.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 110367688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).