4-acetyl-N,N-bis(prop-2-enyl)benzamide

C15H17NO2 — CID 67089080

IUPAC4-acetyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H17NO2/c1-4-10-16(11-5-2)15(18)14-8-6-13(7-9-14)12(3)17/h4-9H,1-2,10-11H2,3H3
InChIKeyCEKKAKABWXKFDY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds6

About 4-acetyl-N,N-bis(prop-2-enyl)benzamide

4-acetyl-N,N-bis(prop-2-enyl)benzamide (PubChem CID 67089080) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-acetyl-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N,N-bis(prop-2-enyl)benzamide
PubChem CID67089080
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-acetyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H17NO2/c1-4-10-16(11-5-2)15(18)14-8-6-13(7-9-14)12(3)17/h4-9H,1-2,10-11H2,3H3
InChIKeyCEKKAKABWXKFDY-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
CID 102603422
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N-(3-amino-3-sulfanylidenepropyl)-4-methyl-N-prop-2-enylbenzamide
CID 82103830
4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
CID 78784427
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
4-(1,3-dithiolan-2-yl)-N,N-bis(prop-2-enyl)benzamide
CID 86976136
2-[[4-(dimethylamino)benzoyl]-prop-2-enylamino]acetic acid
CID 79264539
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
CID 66573946

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-acetyl-N,N-bis(prop-2-enyl)benzamide (CID 67089080) is 4-acetyl-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-acetyl-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-acetyl-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is CEKKAKABWXKFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-10-16(11-5-2)15(18)14-8-6-13(7-9-14)12(3)17/h4-9H,1-2,10-11H2,3H3.
What are the key properties of 4-acetyl-N,N-bis(prop-2-enyl)benzamide?
4-acetyl-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 67089080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).