2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide

C18H25NO — CID 166996981

IUPAC2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide
SMILESCCCC(C)(C)C(=O)Nc1ccc(C#CC(C)C)cc1
InChIInChI=1S/C18H25NO/c1-6-13-18(4,5)17(20)19-16-11-9-15(10-12-16)8-7-14(2)3/h9-12,14H,6,13H2,1-5H3,(H,19,20)
InChIKeyGMEJSIZNGOAVTE-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.46
Rot. Bonds4

About 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide

2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide (PubChem CID 166996981) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide
PubChem CID166996981
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide
SMILESCCCC(C)(C)C(=O)Nc1ccc(C#CC(C)C)cc1
InChIInChI=1S/C18H25NO/c1-6-13-18(4,5)17(20)19-16-11-9-15(10-12-16)8-7-14(2)3/h9-12,14H,6,13H2,1-5H3,(H,19,20)
InChIKeyGMEJSIZNGOAVTE-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 172601240
N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen
CID 172601239
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
CID 100724348
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide (CID 166996981) is 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide is CCCC(C)(C)C(=O)Nc1ccc(C#CC(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide?
The InChIKey is GMEJSIZNGOAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-13-18(4,5)17(20)19-16-11-9-15(10-12-16)8-7-14(2)3/h9-12,14H,6,13H2,1-5H3,(H,19,20).
What are the key properties of 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide?
2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide has a molecular weight of 271.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide is sourced from PubChem (CID 166996981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).