4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C16H24N2O2 — CID 115924108

IUPAC4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H24N2O2/c1-4-11-18(12-13-19)16(20)14-7-9-15(10-8-14)17(5-2)6-3/h4,7-10,19H,1,5-6,11-13H2,2-3H3
InChIKeyKFNFRRALGOWJKT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds8

About 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 115924108) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID115924108
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H24N2O2/c1-4-11-18(12-13-19)16(20)14-7-9-15(10-8-14)17(5-2)6-3/h4,7-10,19H,1,5-6,11-13H2,2-3H3
InChIKeyKFNFRRALGOWJKT-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
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

4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
3-[4-(diethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317527
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
CID 79264539
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
CID 84559876

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 115924108) is 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is KFNFRRALGOWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-11-18(12-13-19)16(20)14-7-9-15(10-8-14)17(5-2)6-3/h4,7-10,19H,1,5-6,11-13H2,2-3H3.
What are the key properties of 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 115924108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).