ethyl N-(4-formyl-3-methoxyphenyl)carbamate

C11H13NO4 — CID 19765047

IUPACethyl N-(4-formyl-3-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C=O)c(OC)c1
InChIInChI=1S/C11H13NO4/c1-3-16-11(14)12-9-5-4-8(7-13)10(6-9)15-2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeySQXTWWKGXUBJIK-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.08
Rot. Bonds4

About ethyl N-(4-formyl-3-methoxyphenyl)carbamate

ethyl N-(4-formyl-3-methoxyphenyl)carbamate (PubChem CID 19765047) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl N-(4-formyl-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-formyl-3-methoxyphenyl)carbamate
PubChem CID19765047
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl N-(4-formyl-3-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(C=O)c(OC)c1
InChIInChI=1S/C11H13NO4/c1-3-16-11(14)12-9-5-4-8(7-13)10(6-9)15-2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKeySQXTWWKGXUBJIK-UHFFFAOYSA-N
XLogP2.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-(4-formyl-3-methoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
ethyl N-(3-butan-2-yl-4-formylphenyl)carbamate
CID 142053484
ethane;ethyl N-(3-butan-2-yl-4-formylphenyl)carbamate
CID 142053483
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
[2-methoxy-4-[[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxycarbonylamino]phenyl]methyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 140662692
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
3-[4-(ethoxycarbonylamino)-2-methylphenyl]prop-2-enoic acid
CID 54971431
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
ethyl 2,2-difluoro-2-(4-formyl-3-methoxyphenyl)acetate
CID 162397982
ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
CID 110178963

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-formyl-3-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(4-formyl-3-methoxyphenyl)carbamate (CID 19765047) is ethyl N-(4-formyl-3-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-formyl-3-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(4-formyl-3-methoxyphenyl)carbamate is CCOC(=O)Nc1ccc(C=O)c(OC)c1.
What is the InChIKey of ethyl N-(4-formyl-3-methoxyphenyl)carbamate?
The InChIKey is SQXTWWKGXUBJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-16-11(14)12-9-5-4-8(7-13)10(6-9)15-2/h4-7H,3H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-(4-formyl-3-methoxyphenyl)carbamate?
ethyl N-(4-formyl-3-methoxyphenyl)carbamate has a molecular weight of 223.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-formyl-3-methoxyphenyl)carbamate is sourced from PubChem (CID 19765047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).