ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate

C19H22N2O6 — CID 2092397

IUPACethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H22N2O6/c1-4-26-19(23)20-13-6-5-7-15(10-13)27-12-18(22)21-16-9-8-14(24-2)11-17(16)25-3/h5-11H,4,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBTXWVHGUNLTSFY-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.29
Rot. Bonds8

About ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate

ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate (PubChem CID 2092397) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
PubChem CID2092397
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Nameethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H22N2O6/c1-4-26-19(23)20-13-6-5-7-15(10-13)27-12-18(22)21-16-9-8-14(24-2)11-17(16)25-3/h5-11H,4,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBTXWVHGUNLTSFY-UHFFFAOYSA-N
XLogP3.29
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526175
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183042
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate (CID 2092397) is ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is BTXWVHGUNLTSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-26-19(23)20-13-6-5-7-15(10-13)27-12-18(22)21-16-9-8-14(24-2)11-17(16)25-3/h5-11H,4,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate?
ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 374.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 2092397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).