N-butan-2-yl-2-propylhexanamide

C13H27NO — CID 173163059

IUPACN-butan-2-yl-2-propylhexanamide
SMILESCCCCC(CCC)C(=O)NC(C)CC
InChIInChI=1S/C13H27NO/c1-5-8-10-12(9-6-2)13(15)14-11(4)7-3/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyNZJVILANBWUZOV-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds8

About N-butan-2-yl-2-propylhexanamide

N-butan-2-yl-2-propylhexanamide (PubChem CID 173163059) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butan-2-yl-2-propylhexanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-propylhexanamide
PubChem CID173163059
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butan-2-yl-2-propylhexanamide
SMILESCCCCC(CCC)C(=O)NC(C)CC
InChIInChI=1S/C13H27NO/c1-5-8-10-12(9-6-2)13(15)14-11(4)7-3/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyNZJVILANBWUZOV-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-2-propylpentanamide
CID 115532227
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
6-(2-ethylhexanoylamino)-2-methylheptanoic acid
CID 65285585
N-(4-methylpentan-2-yl)-2-propylpentanamide
CID 173327827
2-propylhexanehydrazide
CID 86746660
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide
CID 60597163

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-propylhexanamide?
The IUPAC name of N-butan-2-yl-2-propylhexanamide (CID 173163059) is N-butan-2-yl-2-propylhexanamide.
What is the SMILES notation for N-butan-2-yl-2-propylhexanamide?
The canonical SMILES for N-butan-2-yl-2-propylhexanamide is CCCCC(CCC)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-propylhexanamide?
The InChIKey is NZJVILANBWUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-10-12(9-6-2)13(15)14-11(4)7-3/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-propylhexanamide?
N-butan-2-yl-2-propylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-propylhexanamide is sourced from PubChem (CID 173163059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).