ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate

C15H20N2O5 — CID 110367661

IUPACethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CN(c2cccc(OC)c2)C(=O)CO1
InChIInChI=1S/C15H20N2O5/c1-3-21-15(19)16-8-13-9-17(14(18)10-22-13)11-5-4-6-12(7-11)20-2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyDQCHWTVNIYWHHC-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.17
Rot. Bonds5

About ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate

ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate (PubChem CID 110367661) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
PubChem CID110367661
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CN(c2cccc(OC)c2)C(=O)CO1
InChIInChI=1S/C15H20N2O5/c1-3-21-15(19)16-8-13-9-17(14(18)10-22-13)11-5-4-6-12(7-11)20-2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyDQCHWTVNIYWHHC-UHFFFAOYSA-N
XLogP1.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367657
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzenesulfonamide
CID 110367685
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 115060280
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate (CID 110367661) is ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate is CCOC(=O)NCC1CN(c2cccc(OC)c2)C(=O)CO1.
What is the InChIKey of ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
The InChIKey is DQCHWTVNIYWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-3-21-15(19)16-8-13-9-17(14(18)10-22-13)11-5-4-6-12(7-11)20-2/h4-7,13H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate?
ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate has a molecular weight of 308.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 110367661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).