methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate

C19H21NO5 — CID 132555195

IUPACmethyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate
SMILESCOC(=O)NCCc1cc(OC)c(OC)c(-c2ccccc2C=O)c1
InChIInChI=1S/C19H21NO5/c1-23-17-11-13(8-9-20-19(22)25-3)10-16(18(17)24-2)15-7-5-4-6-14(15)12-21/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyQHCDDTLAPQEDCH-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.08
Rot. Bonds7

About methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate

methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate (PubChem CID 132555195) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate
PubChem CID132555195
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate
SMILESCOC(=O)NCCc1cc(OC)c(OC)c(-c2ccccc2C=O)c1
InChIInChI=1S/C19H21NO5/c1-23-17-11-13(8-9-20-19(22)25-3)10-16(18(17)24-2)15-7-5-4-6-14(15)12-21/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyQHCDDTLAPQEDCH-UHFFFAOYSA-N
XLogP3.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
N-[2-[3,4-dimethoxy-5-(4-phenylmethoxyphenyl)phenyl]ethyl]acetamide
CID 11640049
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 113217130
benzyl N-[2-(2-formyl-3,4-dimethoxyphenyl)ethyl]carbamate
CID 10315399
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
2-[6-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzaldehyde
CID 126471253

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate (CID 132555195) is methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate is COC(=O)NCCc1cc(OC)c(OC)c(-c2ccccc2C=O)c1.
What is the InChIKey of methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate?
The InChIKey is QHCDDTLAPQEDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-17-11-13(8-9-20-19(22)25-3)10-16(18(17)24-2)15-7-5-4-6-14(15)12-21/h4-7,10-12H,8-9H2,1-3H3,(H,20,22).
What are the key properties of methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate?
methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate has a molecular weight of 343.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(2-formylphenyl)-4,5-dimethoxyphenyl]ethyl]carbamate is sourced from PubChem (CID 132555195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).