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

C12H17NO3 — CID 60653227

IUPACN,N-bis(2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CCO)CCO)c1
InChIInChI=1S/C12H17NO3/c1-10-3-2-4-11(9-10)12(16)13(5-7-14)6-8-15/h2-4,9,14-15H,5-8H2,1H3
InChIKeyLYVRTSPMTJLZMF-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.42
Rot. Bonds5

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

N,N-bis(2-hydroxyethyl)-3-methylbenzamide (PubChem CID 60653227) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-methylbenzamide
PubChem CID60653227
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN,N-bis(2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CCO)CCO)c1
InChIInChI=1S/C12H17NO3/c1-10-3-2-4-11(9-10)12(16)13(5-7-14)6-8-15/h2-4,9,14-15H,5-8H2,1H3
InChIKeyLYVRTSPMTJLZMF-UHFFFAOYSA-N
XLogP0.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
3-methyl-N,N-di(undecyl)benzamide
CID 533252
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
3-methyl-N-(3-methylbenzoyl)-N-(2-methylprop-2-enyl)benzamide
CID 91710717
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
CID 11500020
3-methyl-N,N-bis(trideuteriomethyl)benzamide
CID 167709287

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylbenzamide (CID 60653227) is N,N-bis(2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-methylbenzamide is Cc1cccc(C(=O)N(CCO)CCO)c1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is LYVRTSPMTJLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10-3-2-4-11(9-10)12(16)13(5-7-14)6-8-15/h2-4,9,14-15H,5-8H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-methylbenzamide?
N,N-bis(2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 0.42, 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)-3-methylbenzamide is sourced from PubChem (CID 60653227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).