N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane

C18H29NO2 — CID 159298128

IUPACN-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane
SMILESC.C=CCCCC(C)=O.CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C10H13NO.C7H12O.CH4/c1-7-4-8(2)6-10(5-7)11-9(3)12;1-3-4-5-6-7(2)8;/h4-6H,1-3H3,(H,11,12);3H,1,4-6H2,2H3;1H4
InChIKeyLAZHVKIRZORNBF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.83
Rot. Bonds5

About N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane

N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane (PubChem CID 159298128) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane
PubChem CID159298128
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane
SMILESC.C=CCCCC(C)=O.CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C10H13NO.C7H12O.CH4/c1-7-4-8(2)6-10(5-7)11-9(3)12;1-3-4-5-6-7(2)8;/h4-6H,1-3H3,(H,11,12);3H,1,4-6H2,2H3;1H4
InChIKeyLAZHVKIRZORNBF-UHFFFAOYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-5-sulfanylphenyl)acetamide
CID 59114064
2-N,11-N-bis(3,5-dimethylphenyl)dodeca-1,11-diene-2,11-diamine
CID 143601433
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
CID 129095419
5-but-3-enoxypentan-2-one
CID 62031380
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
CID 67275978
N-(3-methylphenyl)acetamide
CID 10843
1-(3-bromo-5-methylphenyl)-3-prop-2-enylurea
CID 84527152
4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 82182534
heptan-2-one;pent-1-ene
CID 21192006
(E)-4-[(3,5-dimethylphenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 28746437

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane?
The IUPAC name of N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane (CID 159298128) is N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane.
What is the SMILES notation for N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane?
The canonical SMILES for N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane is C.C=CCCCC(C)=O.CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane?
The InChIKey is LAZHVKIRZORNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C7H12O.CH4/c1-7-4-8(2)6-10(5-7)11-9(3)12;1-3-4-5-6-7(2)8;/h4-6H,1-3H3,(H,11,12);3H,1,4-6H2,2H3;1H4.
What are the key properties of N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane?
N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane has a molecular weight of 291.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)acetamide;hept-6-en-2-one;methane is sourced from PubChem (CID 159298128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).