3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide

C15H22N2O2 — CID 111423290

IUPAC3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
SMILESC=CCN(CCO)Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-4-8-17(9-10-18)12-13-6-5-7-14(11-13)15(19)16(2)3/h4-7,11,18H,1,8-10,12H2,2-3H3
InChIKeyKUUJEDHNZAZZEN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.37
Rot. Bonds7

About 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide

3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 111423290) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID111423290
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
SMILESC=CCN(CCO)Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-4-8-17(9-10-18)12-13-6-5-7-14(11-13)15(19)16(2)3/h4-7,11,18H,1,8-10,12H2,2-3H3
InChIKeyKUUJEDHNZAZZEN-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 111423094
3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
CID 111544007
2-[(3-nitrophenyl)methyl-prop-2-enylamino]ethanol
CID 111423236
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111487813
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 119049014
2-[[3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoyl]amino]acetic acid
CID 92921049
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
CID 22569822

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide (CID 111423290) is 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide is C=CCN(CCO)Cc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is KUUJEDHNZAZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-8-17(9-10-18)12-13-6-5-7-14(11-13)15(19)16(2)3/h4-7,11,18H,1,8-10,12H2,2-3H3.
What are the key properties of 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide?
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111423290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).