N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide

C13H19NO3 — CID 60653153

IUPACN,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(CCO)CCO)c1C
InChIInChI=1S/C13H19NO3/c1-10-4-3-5-12(11(10)2)13(17)14(6-8-15)7-9-16/h3-5,15-16H,6-9H2,1-2H3
InChIKeyONAWHHYXNKMWPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide

N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide (PubChem CID 60653153) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
PubChem CID60653153
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(CCO)CCO)c1C
InChIInChI=1S/C13H19NO3/c1-10-4-3-5-12(11(10)2)13(17)14(6-8-15)7-9-16/h3-5,15-16H,6-9H2,1-2H3
InChIKeyONAWHHYXNKMWPF-UHFFFAOYSA-N
XLogP0.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368
2-[(2,3-dimethylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347338
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
2-hydroxy-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 60653742
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide (CID 60653153) is N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)N(CCO)CCO)c1C.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide?
The InChIKey is ONAWHHYXNKMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-4-3-5-12(11(10)2)13(17)14(6-8-15)7-9-16/h3-5,15-16H,6-9H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide?
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 60653153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).