2-tert-butyl-4,4-dimethyl-N-propylpentanamide

C14H29NO — CID 121265105

IUPAC2-tert-butyl-4,4-dimethyl-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-15-12(16)11(14(5,6)7)10-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyZNWYKXQDCACRFP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.61
Rot. Bonds4

About 2-tert-butyl-4,4-dimethyl-N-propylpentanamide

2-tert-butyl-4,4-dimethyl-N-propylpentanamide (PubChem CID 121265105) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-N-propylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-N-propylpentanamide
PubChem CID121265105
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-tert-butyl-4,4-dimethyl-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-8-9-15-12(16)11(14(5,6)7)10-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyZNWYKXQDCACRFP-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
[2-[(2-tert-butyl-4,4-dimethylpentanoyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
CID 129124769
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
CID 142069117
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
3,3-dimethyl-N-propyl-2-sulfanylbutanamide
CID 143641927
(2S)-2-tert-butyl-N-(2-hydroxyethyl)pentanamide
CID 155268171
3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-N-propylpentanamide?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-N-propylpentanamide (CID 121265105) is 2-tert-butyl-4,4-dimethyl-N-propylpentanamide.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-N-propylpentanamide?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-N-propylpentanamide is CCCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-N-propylpentanamide?
The InChIKey is ZNWYKXQDCACRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-9-15-12(16)11(14(5,6)7)10-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of 2-tert-butyl-4,4-dimethyl-N-propylpentanamide?
2-tert-butyl-4,4-dimethyl-N-propylpentanamide has a molecular weight of 227.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-N-propylpentanamide is sourced from PubChem (CID 121265105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).