N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide

C32H32N2O6 — CID 164621119

IUPACN-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C32H32N2O6/c1-36-27-16-13-21(9-10-23-18-29(37-2)31(39-4)30(19-23)38-3)17-28(27)40-20-22-11-14-24(15-12-22)32(35)34-26-8-6-5-7-25(26)33/h5-19H,20,33H2,1-4H3,(H,34,35)/b10-9-
InChIKeyXNYGSWUIWSGSCA-KTKRTIGZSA-N
MW540.62 g/mol
LogP6.30
Rot. Bonds11

About N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide

N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide (PubChem CID 164621119) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
PubChem CID164621119
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC NameN-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C32H32N2O6/c1-36-27-16-13-21(9-10-23-18-29(37-2)31(39-4)30(19-23)38-3)17-28(27)40-20-22-11-14-24(15-12-22)32(35)34-26-8-6-5-7-25(26)33/h5-19H,20,33H2,1-4H3,(H,34,35)/b10-9-
InChIKeyXNYGSWUIWSGSCA-KTKRTIGZSA-N
XLogP6.30
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 2803242
N-(2-aminophenyl)-2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzamide
CID 130227528
3-(3,4,5-trimethoxybenzoyl)-1H-quinoxalin-2-one
CID 141466063
(E)-N-(2-aminophenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-enamide
CID 164618780
(E)-N-(2-aminophenyl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 164626307
N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide
CID 2903122
N-[2-(butyrylamino)phenyl]-3,4,5-trimethoxybenzamide
CID 1301613
(E)-N-(4-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320100
N-[3-(benzoylamino)phenyl]-3,4,5-trimethoxybenzamide
CID 1364890
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 2285718
3,4,5-triethoxy-N-{2-[4-(methylsulfonyl)-1-piperazinyl]phenyl}benzamide
CID 2963729

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide (CID 164621119) is N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
The InChIKey is XNYGSWUIWSGSCA-KTKRTIGZSA-N. The full InChI is InChI=1S/C32H32N2O6/c1-36-27-16-13-21(9-10-23-18-29(37-2)31(39-4)30(19-23)38-3)17-28(27)40-20-22-11-14-24(15-12-22)32(35)34-26-8-6-5-7-25(26)33/h5-19H,20,33H2,1-4H3,(H,34,35)/b10-9-.
What are the key properties of N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide has a molecular weight of 540.62 g/mol, XLogP of 6.30, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide is sourced from PubChem (CID 164621119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).