N-(2-methyl-5-propan-2-ylphenyl)octanamide

C18H29NO — CID 4069709

IUPACN-(2-methyl-5-propan-2-ylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H29NO/c1-5-6-7-8-9-10-18(20)19-17-13-16(14(2)3)12-11-15(17)4/h11-14H,5-10H2,1-4H3,(H,19,20)
InChIKeyUESWZJQZHJOJAX-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.42
Rot. Bonds8

About N-(2-methyl-5-propan-2-ylphenyl)octanamide

N-(2-methyl-5-propan-2-ylphenyl)octanamide (PubChem CID 4069709) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-ylphenyl)octanamide.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-ylphenyl)octanamide
PubChem CID4069709
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methyl-5-propan-2-ylphenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H29NO/c1-5-6-7-8-9-10-18(20)19-17-13-16(14(2)3)12-11-15(17)4/h11-14H,5-10H2,1-4H3,(H,19,20)
InChIKeyUESWZJQZHJOJAX-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
N-(5-chloro-2-methylphenyl)decanamide
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4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131547
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
methyl 4-methyl-3-(pentanoylamino)benzoate
CID 8920189
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)octanamide?
The IUPAC name of N-(2-methyl-5-propan-2-ylphenyl)octanamide (CID 4069709) is N-(2-methyl-5-propan-2-ylphenyl)octanamide.
What is the SMILES notation for N-(2-methyl-5-propan-2-ylphenyl)octanamide?
The canonical SMILES for N-(2-methyl-5-propan-2-ylphenyl)octanamide is CCCCCCCC(=O)Nc1cc(C(C)C)ccc1C.
What is the InChIKey of N-(2-methyl-5-propan-2-ylphenyl)octanamide?
The InChIKey is UESWZJQZHJOJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-6-7-8-9-10-18(20)19-17-13-16(14(2)3)12-11-15(17)4/h11-14H,5-10H2,1-4H3,(H,19,20).
What are the key properties of N-(2-methyl-5-propan-2-ylphenyl)octanamide?
N-(2-methyl-5-propan-2-ylphenyl)octanamide has a molecular weight of 275.44 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-ylphenyl)octanamide is sourced from PubChem (CID 4069709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).