N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide

C30H28N2O7 — CID 164625057

IUPACN-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C30H28N2O7/c1-35-24-14-11-19(28(33)20-16-26(36-2)29(38-4)27(17-20)37-3)15-25(24)39-21-12-9-18(10-13-21)30(34)32-23-8-6-5-7-22(23)31/h5-17H,31H2,1-4H3,(H,32,34)
InChIKeySRCKXKGWTNZKIT-UHFFFAOYSA-N
MW528.56 g/mol
LogP5.58
Rot. Bonds10

About N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide

N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide (PubChem CID 164625057) has the molecular formula C30H28N2O7 and a molecular weight of 528.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide
PubChem CID164625057
Molecular FormulaC30H28N2O7
Molecular Weight528.56 g/mol
Exact Mass528.19
IUPAC NameN-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C30H28N2O7/c1-35-24-14-11-19(28(33)20-16-26(36-2)29(38-4)27(17-20)37-3)15-25(24)39-21-12-9-18(10-13-21)30(34)32-23-8-6-5-7-22(23)31/h5-17H,31H2,1-4H3,(H,32,34)
InChIKeySRCKXKGWTNZKIT-UHFFFAOYSA-N
XLogP5.58
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
N-(9H-Fluoren-2-YL)-3,4,5-trimethoxybenzamide
CID 1273134
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
N-[4-(3,5-difluorophenyl)-2-nitrophenyl]-3,4,5-trimethoxybenzamide
CID 56946834
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
N-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
N-(4-benzoylphenyl)-2,4,5-trimethoxybenzamide
CID 1020050
3,4,5-triethoxy-N-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
CID 665151

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide (CID 164625057) is N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide is COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide?
The InChIKey is SRCKXKGWTNZKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O7/c1-35-24-14-11-19(28(33)20-16-26(36-2)29(38-4)27(17-20)37-3)15-25(24)39-21-12-9-18(10-13-21)30(34)32-23-8-6-5-7-22(23)31/h5-17H,31H2,1-4H3,(H,32,34).
What are the key properties of N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide?
N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide has a molecular weight of 528.56 g/mol, XLogP of 5.58, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenoxy]benzamide is sourced from PubChem (CID 164625057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).