N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride

C14H21ClN2O2 — CID 2972123

IUPACN-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1cccc(C(=O)NCCN(C)C)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-4-10-18-13-7-5-6-12(11-13)14(17)15-8-9-16(2)3;/h4-7,11H,1,8-10H2,2-3H3,(H,15,17);1H
InChIKeyJBJJUKCJPGZHEO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride

N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride (PubChem CID 2972123) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
PubChem CID2972123
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1cccc(C(=O)NCCN(C)C)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-4-10-18-13-7-5-6-12(11-13)14(17)15-8-9-16(2)3;/h4-7,11H,1,8-10H2,2-3H3,(H,15,17);1H
InChIKeyJBJJUKCJPGZHEO-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.96
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-ethoxy-N-prop-2-enylbenzamide
CID 4957446
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
CID 90058025
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride (CID 2972123) is N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride is C=CCOc1cccc(C(=O)NCCN(C)C)c1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is JBJJUKCJPGZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-4-10-18-13-7-5-6-12(11-13)14(17)15-8-9-16(2)3;/h4-7,11H,1,8-10H2,2-3H3,(H,15,17);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 2972123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).