2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide

C23H47NO — CID 89331176

IUPAC2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
SMILESCCCCCCCCCCCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H47NO/c1-8-9-10-11-12-13-14-15-16-17-18-24-21(25)20(23(5,6)7)19-22(2,3)4/h20H,8-19H2,1-7H3,(H,24,25)
InChIKeyIXMQKWGZGAFRTM-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.12
Rot. Bonds13

About 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide

2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide (PubChem CID 89331176) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
PubChem CID89331176
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
SMILESCCCCCCCCCCCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H47NO/c1-8-9-10-11-12-13-14-15-16-17-18-24-21(25)20(23(5,6)7)19-22(2,3)4/h20H,8-19H2,1-7H3,(H,24,25)
InChIKeyIXMQKWGZGAFRTM-UHFFFAOYSA-N
XLogP7.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.12
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-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
N-octadecyl-2-octylicosanamide
CID 154636535
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
CID 89240534
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
2,3,4-trihydroxy-3-methyl-N-tetradecylbutanamide
CID 19829240
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide (CID 89331176) is 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide is CCCCCCCCCCCCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide?
The InChIKey is IXMQKWGZGAFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-8-9-10-11-12-13-14-15-16-17-18-24-21(25)20(23(5,6)7)19-22(2,3)4/h20H,8-19H2,1-7H3,(H,24,25).
What are the key properties of 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide?
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide has a molecular weight of 353.64 g/mol, XLogP of 7.12, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide is sourced from PubChem (CID 89331176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).