2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide

C17H19N3O5 — CID 87396074

IUPAC2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide
SMILESCOc1c(OC)c(C(N)=O)c(OC)c(N)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O5/c1-23-13-11(16(19)21)15(25-3)14(24-2)10(12(13)18)17(22)20-9-7-5-4-6-8-9/h4-8H,18H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyCPHLGSRYUBBNOK-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide

2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 87396074) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide
PubChem CID87396074
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide
SMILESCOc1c(OC)c(C(N)=O)c(OC)c(N)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O5/c1-23-13-11(16(19)21)15(25-3)14(24-2)10(12(13)18)17(22)20-9-7-5-4-6-8-9/h4-8H,18H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyCPHLGSRYUBBNOK-UHFFFAOYSA-N
XLogP1.65
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
CID 163283697
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
2-amino-4-(2-chloroethoxy)-3-methoxy-N-phenylbenzamide
CID 67576572
2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
CID 22146664
[3-methoxy-4-(phenylcarbamoyl)phenyl]boronic acid
CID 22346905
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659533
3,5-ditert-butyl-4-methoxy-N-phenylbenzamide
CID 86191390
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
3-amino-6-(dimethoxymethyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 2745223
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide (CID 87396074) is 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide is COc1c(OC)c(C(N)=O)c(OC)c(N)c1C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is CPHLGSRYUBBNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-23-13-11(16(19)21)15(25-3)14(24-2)10(12(13)18)17(22)20-9-7-5-4-6-8-9/h4-8H,18H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide?
2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 345.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 87396074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).