benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate

C18H19NO6 — CID 88935941

IUPACbenzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate
SMILESCOCOc1cc(OC)cc(NC(=O)OCc2ccccc2)c1C=O
InChIInChI=1S/C18H19NO6/c1-22-12-25-17-9-14(23-2)8-16(15(17)10-20)19-18(21)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyRHMWHRNAAFDZKB-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.24
Rot. Bonds8

About benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate

benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate (PubChem CID 88935941) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate
PubChem CID88935941
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namebenzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate
SMILESCOCOc1cc(OC)cc(NC(=O)OCc2ccccc2)c1C=O
InChIInChI=1S/C18H19NO6/c1-22-12-25-17-9-14(23-2)8-16(15(17)10-20)19-18(21)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyRHMWHRNAAFDZKB-UHFFFAOYSA-N
XLogP3.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.24
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

benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate
CID 139748839
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
CID 91489110
2-hydroxy-6-methoxy-4-phenylmethoxybenzaldehyde
CID 90458250
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate?
The IUPAC name of benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate (CID 88935941) is benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate is COCOc1cc(OC)cc(NC(=O)OCc2ccccc2)c1C=O.
What is the InChIKey of benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate?
The InChIKey is RHMWHRNAAFDZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-22-12-25-17-9-14(23-2)8-16(15(17)10-20)19-18(21)24-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate?
benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate has a molecular weight of 345.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate is sourced from PubChem (CID 88935941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).