formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

C20H21NO7 — CID 87613103

IUPACformaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESC=O.COc1cc(C(=O)c2cc(C=O)ccc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C19H19NO6.CH2O/c1-11(22)20-15-6-5-12(10-21)7-14(15)18(23)13-8-16(24-2)19(26-4)17(9-13)25-3;1-2/h5-10H,1-4H3,(H,20,22);1H2
InChIKeyZRBPMCQEYYTRMU-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.53
Rot. Bonds7

About formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (PubChem CID 87613103) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.

Molecular Properties

Compound Nameformaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
PubChem CID87613103
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Nameformaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESC=O.COc1cc(C(=O)c2cc(C=O)ccc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C19H19NO6.CH2O/c1-11(22)20-15-6-5-12(10-21)7-14(15)18(23)13-8-16(24-2)19(26-4)17(9-13)25-3;1-2/h5-10H,1-4H3,(H,20,22);1H2
InChIKeyZRBPMCQEYYTRMU-UHFFFAOYSA-N
XLogP2.53
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25066423
N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25067024
(4-formylphenyl) 3,4,5-trimethoxybenzoate
CID 780699
3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]benzaldehyde
CID 46226880
(2,4-dihydroxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 18004169
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
(E)-N-[2,3-dimethoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 90676913
tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
methyl 4-(2-chloro-4-formylphenoxy)-3,5-dimethoxybenzoate
CID 167057664
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
4-acetyl-3-methoxybenzaldehyde
CID 14123550

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The IUPAC name of formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (CID 87613103) is formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.
What is the SMILES notation for formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The canonical SMILES for formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is C=O.COc1cc(C(=O)c2cc(C=O)ccc2NC(C)=O)cc(OC)c1OC.
What is the InChIKey of formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The InChIKey is ZRBPMCQEYYTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6.CH2O/c1-11(22)20-15-6-5-12(10-21)7-14(15)18(23)13-8-16(24-2)19(26-4)17(9-13)25-3;1-2/h5-10H,1-4H3,(H,20,22);1H2.
What are the key properties of formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide has a molecular weight of 387.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is sourced from PubChem (CID 87613103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).