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

C16H22N2O4 — CID 110367743

IUPACethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CN(c2ccc(CC)cc2)C(=O)CO1
InChIInChI=1S/C16H22N2O4/c1-3-12-5-7-13(8-6-12)18-10-14(22-11-15(18)19)9-17-16(20)21-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyNJUVWQALMYBMOU-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.73
Rot. Bonds5

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

ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate (PubChem CID 110367743) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
PubChem CID110367743
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CN(c2ccc(CC)cc2)C(=O)CO1
InChIInChI=1S/C16H22N2O4/c1-3-12-5-7-13(8-6-12)18-10-14(22-11-15(18)19)9-17-16(20)21-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyNJUVWQALMYBMOU-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
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
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367661
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
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
methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110367768
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate (CID 110367743) is ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate is CCOC(=O)NCC1CN(c2ccc(CC)cc2)C(=O)CO1.
What is the InChIKey of ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
The InChIKey is NJUVWQALMYBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-12-5-7-13(8-6-12)18-10-14(22-11-15(18)19)9-17-16(20)21-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate has a molecular weight of 306.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 110367743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).