N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen

C17H26N2O3 — CID 142075017

IUPACN-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
SMILESCC.COc1cc(NC(=O)c2ccccc2)c(OC)cc1N.[H][H].[H][H]
InChIInChI=1S/C15H16N2O3.C2H6.2H2/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10;1-2;;/h3-9H,16H2,1-2H3,(H,17,18);1-2H3;2*1H
InChIKeyRQUOJLSAGBKNKT-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.06
Rot. Bonds4

About N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen

N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen (PubChem CID 142075017) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
PubChem CID142075017
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
SMILESCC.COc1cc(NC(=O)c2ccccc2)c(OC)cc1N.[H][H].[H][H]
InChIInChI=1S/C15H16N2O3.C2H6.2H2/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10;1-2;;/h3-9H,16H2,1-2H3,(H,17,18);1-2H3;2*1H
InChIKeyRQUOJLSAGBKNKT-UHFFFAOYSA-N
XLogP4.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
N-(4-benzamido-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 42089647
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16644290

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen?
The IUPAC name of N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen (CID 142075017) is N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen?
The canonical SMILES for N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen is CC.COc1cc(NC(=O)c2ccccc2)c(OC)cc1N.[H][H].[H][H].
What is the InChIKey of N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen?
The InChIKey is RQUOJLSAGBKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.C2H6.2H2/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10;1-2;;/h3-9H,16H2,1-2H3,(H,17,18);1-2H3;2*1H.
What are the key properties of N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen?
N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen has a molecular weight of 306.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen is sourced from PubChem (CID 142075017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).