N,N-diethyl-3-(prop-2-enoylamino)benzamide

C14H18N2O2 — CID 43616413

IUPACN,N-diethyl-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C14H18N2O2/c1-4-13(17)15-12-9-7-8-11(10-12)14(18)16(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,15,17)
InChIKeyZQVVJVHLLMQEPO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.29
Rot. Bonds5

About N,N-diethyl-3-(prop-2-enoylamino)benzamide

N,N-diethyl-3-(prop-2-enoylamino)benzamide (PubChem CID 43616413) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-diethyl-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(prop-2-enoylamino)benzamide
PubChem CID43616413
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,N-diethyl-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C14H18N2O2/c1-4-13(17)15-12-9-7-8-11(10-12)14(18)16(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,15,17)
InChIKeyZQVVJVHLLMQEPO-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
N-ethyl-N-(oxan-4-ylmethyl)-3-(prop-2-enoylamino)benzamide
CID 166410817
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(prop-2-enoylamino)benzamide (CID 43616413) is N,N-diethyl-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-(prop-2-enoylamino)benzamide?
The InChIKey is ZQVVJVHLLMQEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-13(17)15-12-9-7-8-11(10-12)14(18)16(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,15,17).
What are the key properties of N,N-diethyl-3-(prop-2-enoylamino)benzamide?
N,N-diethyl-3-(prop-2-enoylamino)benzamide has a molecular weight of 246.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 43616413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).