N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide

C19H21NO6 — CID 139069526

IUPACN-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide
SMILESCOCOc1c(C=O)cccc1-c1cccc(CNC=O)c1OCOC
InChIInChI=1S/C19H21NO6/c1-23-12-25-18-14(9-20-11-22)5-3-7-16(18)17-8-4-6-15(10-21)19(17)26-13-24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,22)
InChIKeyLBSWTXJJBCPONW-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.38
Rot. Bonds11

About N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide

N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide (PubChem CID 139069526) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide
PubChem CID139069526
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide
SMILESCOCOc1c(C=O)cccc1-c1cccc(CNC=O)c1OCOC
InChIInChI=1S/C19H21NO6/c1-23-12-25-18-14(9-20-11-22)5-3-7-16(18)17-8-4-6-15(10-21)19(17)26-13-24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,22)
InChIKeyLBSWTXJJBCPONW-UHFFFAOYSA-N
XLogP2.38
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
[3-[3-formyl-2-(2-methoxyethoxymethoxy)phenyl]-4-(2-methoxyethoxymethoxy)phenyl]methylcarbamic acid
CID 87637475
N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide
CID 154933865
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
[3-[3-chloro-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methanol
CID 54117056
1-iodo-3-[3-iodo-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)benzene
CID 139094627
3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline
CID 135022405
3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
CID 164895663

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide?
The IUPAC name of N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide (CID 139069526) is N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide.
What is the SMILES notation for N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide?
The canonical SMILES for N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide is COCOc1c(C=O)cccc1-c1cccc(CNC=O)c1OCOC.
What is the InChIKey of N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide?
The InChIKey is LBSWTXJJBCPONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-23-12-25-18-14(9-20-11-22)5-3-7-16(18)17-8-4-6-15(10-21)19(17)26-13-24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide?
N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide has a molecular weight of 359.38 g/mol, XLogP of 2.38, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-formyl-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)phenyl]methyl]formamide is sourced from PubChem (CID 139069526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).