5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide

C12H18N2O3 — CID 61289864

IUPAC5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H18N2O3/c1-9-2-3-10(13)8-11(9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,13H2,1H3
InChIKeyJESRYQWPYILOAA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.00
Rot. Bonds5

About 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide

5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 61289864) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
PubChem CID61289864
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H18N2O3/c1-9-2-3-10(13)8-11(9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,13H2,1H3
InChIKeyJESRYQWPYILOAA-UHFFFAOYSA-N
XLogP0.00
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
CID 82183920
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 120636103

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide (CID 61289864) is 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)N(CCO)CCO.
What is the InChIKey of 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is JESRYQWPYILOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-2-3-10(13)8-11(9)12(17)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,13H2,1H3.
What are the key properties of 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide?
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 61289864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).