3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide

C18H22N2O2 — CID 111544007

IUPAC3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN(CCO)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-19(2)18(22)16-8-6-7-15(13-16)14-20(11-12-21)17-9-4-3-5-10-17/h3-10,13,21H,11-12,14H2,1-2H3
InChIKeySZCPZDTWHWNEEO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.39
Rot. Bonds6

About 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide

3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide (PubChem CID 111544007) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
PubChem CID111544007
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN(CCO)c2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-19(2)18(22)16-8-6-7-15(13-16)14-20(11-12-21)17-9-4-3-5-10-17/h3-10,13,21H,11-12,14H2,1-2H3
InChIKeySZCPZDTWHWNEEO-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 99793381
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
CID 60838242
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645

Frequently Asked Questions

What is the IUPAC name of 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide (CID 111544007) is 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN(CCO)c2ccccc2)c1.
What is the InChIKey of 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide?
The InChIKey is SZCPZDTWHWNEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19(2)18(22)16-8-6-7-15(13-16)14-20(11-12-21)17-9-4-3-5-10-17/h3-10,13,21H,11-12,14H2,1-2H3.
What are the key properties of 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide?
3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111544007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).