N-(4-formyl-2,6-dimethoxyphenyl)formamide

C10H11NO4 — CID 21281019

IUPACN-(4-formyl-2,6-dimethoxyphenyl)formamide
SMILESCOc1cc(C=O)cc(OC)c1NC=O
InChIInChI=1S/C10H11NO4/c1-14-8-3-7(5-12)4-9(15-2)10(8)11-6-13/h3-6H,1-2H3,(H,11,13)
InChIKeyCSZBRVLGTHERGR-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.08
Rot. Bonds5

About N-(4-formyl-2,6-dimethoxyphenyl)formamide

N-(4-formyl-2,6-dimethoxyphenyl)formamide (PubChem CID 21281019) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-(4-formyl-2,6-dimethoxyphenyl)formamide.

Molecular Properties

Compound NameN-(4-formyl-2,6-dimethoxyphenyl)formamide
PubChem CID21281019
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC NameN-(4-formyl-2,6-dimethoxyphenyl)formamide
SMILESCOc1cc(C=O)cc(OC)c1NC=O
InChIInChI=1S/C10H11NO4/c1-14-8-3-7(5-12)4-9(15-2)10(8)11-6-13/h3-6H,1-2H3,(H,11,13)
InChIKeyCSZBRVLGTHERGR-UHFFFAOYSA-N
XLogP1.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enenitrile
CID 169484202
tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate
CID 84808060
5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
methyl 3-(4-formyl-2,6-dimethoxyphenyl)prop-2-enoate
CID 86662889
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
2-(5-formyl-2,3-dimethoxyphenyl)acetonitrile
CID 117293177
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-2,6-dimethoxyphenyl)formamide?
The IUPAC name of N-(4-formyl-2,6-dimethoxyphenyl)formamide (CID 21281019) is N-(4-formyl-2,6-dimethoxyphenyl)formamide.
What is the SMILES notation for N-(4-formyl-2,6-dimethoxyphenyl)formamide?
The canonical SMILES for N-(4-formyl-2,6-dimethoxyphenyl)formamide is COc1cc(C=O)cc(OC)c1NC=O.
What is the InChIKey of N-(4-formyl-2,6-dimethoxyphenyl)formamide?
The InChIKey is CSZBRVLGTHERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-8-3-7(5-12)4-9(15-2)10(8)11-6-13/h3-6H,1-2H3,(H,11,13).
What are the key properties of N-(4-formyl-2,6-dimethoxyphenyl)formamide?
N-(4-formyl-2,6-dimethoxyphenyl)formamide has a molecular weight of 209.20 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-2,6-dimethoxyphenyl)formamide is sourced from PubChem (CID 21281019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).