4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide

C14H22N2O3 — CID 111487813

IUPAC4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN(CCO)CCO)cc1
InChIInChI=1S/C14H22N2O3/c1-15(2)14(19)13-5-3-12(4-6-13)11-16(7-9-17)8-10-18/h3-6,17-18H,7-11H2,1-2H3
InChIKeyXLZBPSLQFYDYPS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.17
Rot. Bonds7

About 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide

4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 111487813) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID111487813
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN(CCO)CCO)cc1
InChIInChI=1S/C14H22N2O3/c1-15(2)14(19)13-5-3-12(4-6-13)11-16(7-9-17)8-10-18/h3-6,17-18H,7-11H2,1-2H3
InChIKeyXLZBPSLQFYDYPS-UHFFFAOYSA-N
XLogP0.17
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 144663757
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide (CID 111487813) is 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN(CCO)CCO)cc1.
What is the InChIKey of 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is XLZBPSLQFYDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15(2)14(19)13-5-3-12(4-6-13)11-16(7-9-17)8-10-18/h3-6,17-18H,7-11H2,1-2H3.
What are the key properties of 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide?
4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111487813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).