4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen

C13H28N2O2 — CID 156799285

IUPAC4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
SMILESCC.CC.Nc1ccc(C(=O)NCCO)cc1.[H][H].[H][H]
InChIInChI=1S/C9H12N2O2.2C2H6.2H2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;2*1-2;;/h1-4,12H,5-6,10H2,(H,11,13);2*1-2H3;2*1H
InChIKeyOLXDSEJHUVWIFD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.54
Rot. Bonds3

About 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen

4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen (PubChem CID 156799285) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
PubChem CID156799285
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
SMILESCC.CC.Nc1ccc(C(=O)NCCO)cc1.[H][H].[H][H]
InChIInChI=1S/C9H12N2O2.2C2H6.2H2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;2*1-2;;/h1-4,12H,5-6,10H2,(H,11,13);2*1-2H3;2*1H
InChIKeyOLXDSEJHUVWIFD-UHFFFAOYSA-N
XLogP2.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
2-[(4-aminobenzoyl)amino]-N,N-diethylethanamine oxide
CID 11402489

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen (CID 156799285) is 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen is CC.CC.Nc1ccc(C(=O)NCCO)cc1.[H][H].[H][H].
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen?
The InChIKey is OLXDSEJHUVWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.2C2H6.2H2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;2*1-2;;/h1-4,12H,5-6,10H2,(H,11,13);2*1-2H3;2*1H.
What are the key properties of 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen?
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen has a molecular weight of 244.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen is sourced from PubChem (CID 156799285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).