2-phenyl-2-propan-2-yloctanamide

C17H27NO — CID 141169465

IUPAC2-phenyl-2-propan-2-yloctanamide
SMILESCCCCCCC(C(N)=O)(c1ccccc1)C(C)C
InChIInChI=1S/C17H27NO/c1-4-5-6-10-13-17(14(2)3,16(18)19)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2,18,19)
InChIKeyJUFNMZJPXVDADL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.04
Rot. Bonds8

About 2-phenyl-2-propan-2-yloctanamide

2-phenyl-2-propan-2-yloctanamide (PubChem CID 141169465) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-phenyl-2-propan-2-yloctanamide.

Molecular Properties

Compound Name2-phenyl-2-propan-2-yloctanamide
PubChem CID141169465
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-phenyl-2-propan-2-yloctanamide
SMILESCCCCCCC(C(N)=O)(c1ccccc1)C(C)C
InChIInChI=1S/C17H27NO/c1-4-5-6-10-13-17(14(2)3,16(18)19)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2,18,19)
InChIKeyJUFNMZJPXVDADL-UHFFFAOYSA-N
XLogP4.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.04
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

2-phenyl-2-propan-2-yloctadecanoic acid
CID 159693537
2-bromo-2-phenylheptanamide
CID 57012582
2-nonyl-2-phenylpropanedioic acid
CID 70554602
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
2-methyl-2-phenyldecanoic acid
CID 154177551
2,2-diphenylhexanamide;hydrochloride
CID 142429226
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-methyl-2-phenylnonadecanoic acid
CID 140988291
1,1-diphenyldodecan-1-amine
CID 19925745
(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
CID 122703905
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-propan-2-yloctanamide?
The IUPAC name of 2-phenyl-2-propan-2-yloctanamide (CID 141169465) is 2-phenyl-2-propan-2-yloctanamide.
What is the SMILES notation for 2-phenyl-2-propan-2-yloctanamide?
The canonical SMILES for 2-phenyl-2-propan-2-yloctanamide is CCCCCCC(C(N)=O)(c1ccccc1)C(C)C.
What is the InChIKey of 2-phenyl-2-propan-2-yloctanamide?
The InChIKey is JUFNMZJPXVDADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-5-6-10-13-17(14(2)3,16(18)19)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2,18,19).
What are the key properties of 2-phenyl-2-propan-2-yloctanamide?
2-phenyl-2-propan-2-yloctanamide has a molecular weight of 261.41 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-propan-2-yloctanamide is sourced from PubChem (CID 141169465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).