2-tert-butyl-N-propan-2-ylhexanamide

C13H27NO — CID 21366386

IUPAC2-tert-butyl-N-propan-2-ylhexanamide
SMILESCCCCC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-8-9-11(13(4,5)6)12(15)14-10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyLKHPHRATXWRDGR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.36
Rot. Bonds5

About 2-tert-butyl-N-propan-2-ylhexanamide

2-tert-butyl-N-propan-2-ylhexanamide (PubChem CID 21366386) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-tert-butyl-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name2-tert-butyl-N-propan-2-ylhexanamide
PubChem CID21366386
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-tert-butyl-N-propan-2-ylhexanamide
SMILESCCCCC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-8-9-11(13(4,5)6)12(15)14-10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyLKHPHRATXWRDGR-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-propan-2-ylhexanamide
CID 19752015
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
3-butylundecan-2-one
CID 10922232
2-methyl-N-propan-2-ylpentanamide
CID 4628268
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
2-tert-butyl-N-phenylheptanamide
CID 67683128
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
3-pentylnonan-2-one
CID 21290467
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
2-hydroperoxyethyl 2-tert-butylhexanoate
CID 175037363
(2S)-2-tert-butyl-N-(2-hydroxyethyl)pentanamide
CID 155268171

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-propan-2-ylhexanamide?
The IUPAC name of 2-tert-butyl-N-propan-2-ylhexanamide (CID 21366386) is 2-tert-butyl-N-propan-2-ylhexanamide.
What is the SMILES notation for 2-tert-butyl-N-propan-2-ylhexanamide?
The canonical SMILES for 2-tert-butyl-N-propan-2-ylhexanamide is CCCCC(C(=O)NC(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-propan-2-ylhexanamide?
The InChIKey is LKHPHRATXWRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-9-11(13(4,5)6)12(15)14-10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 2-tert-butyl-N-propan-2-ylhexanamide?
2-tert-butyl-N-propan-2-ylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propan-2-ylhexanamide is sourced from PubChem (CID 21366386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).