3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide

C18H24N2O2 — CID 75854684

IUPAC3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O2/c1-5-11-20(12-6-2)18(22)13-17(19-15(4)21)16-9-7-14(3)8-10-16/h5-10,17H,1-2,11-13H2,3-4H3,(H,19,21)
InChIKeyKOZQQJKQBHXZNL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.76
Rot. Bonds8

About 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide

3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 75854684) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
PubChem CID75854684
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O2/c1-5-11-20(12-6-2)18(22)13-17(19-15(4)21)16-9-7-14(3)8-10-16/h5-10,17H,1-2,11-13H2,3-4H3,(H,19,21)
InChIKeyKOZQQJKQBHXZNL-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.76
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

(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
CID 134058928
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide
CID 78792303
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553846
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
1-[[3-acetamido-3-(4-methylphenyl)propanoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539890
3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
CID 43039918

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide (CID 75854684) is 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CC(NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is KOZQQJKQBHXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-11-20(12-6-2)18(22)13-17(19-15(4)21)16-9-7-14(3)8-10-16/h5-10,17H,1-2,11-13H2,3-4H3,(H,19,21).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide?
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 75854684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).