N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide

C14H19NO2 — CID 113340642

IUPACN-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO2/c1-4-5-15(6-7-16)14(17)13-9-11(2)8-12(3)10-13/h4,8-10,16H,1,5-7H2,2-3H3
InChIKeyHKBNCUPSZGNJNK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds5

About N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide

N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide (PubChem CID 113340642) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
PubChem CID113340642
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO2/c1-4-5-15(6-7-16)14(17)13-9-11(2)8-12(3)10-13/h4,8-10,16H,1,5-7H2,2-3H3
InChIKeyHKBNCUPSZGNJNK-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775942
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
N-(2-hydroxyethyl)-5-methyl-N-prop-2-enyl-2-sulfamoylbenzamide
CID 115877855
N-(2-hydroxyethyl)-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 115775742
5-ethenyl-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 170901578
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide (CID 113340642) is N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide?
The InChIKey is HKBNCUPSZGNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-15(6-7-16)14(17)13-9-11(2)8-12(3)10-13/h4,8-10,16H,1,5-7H2,2-3H3.
What are the key properties of N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide?
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 113340642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).