N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide

C14H29NO2 — CID 146303110

IUPACN-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide
SMILESCCC(C)NC(=O)C(C)CCC(C)OC(C)C
InChIInChI=1S/C14H29NO2/c1-7-12(5)15-14(16)11(4)8-9-13(6)17-10(2)3/h10-13H,7-9H2,1-6H3,(H,15,16)
InChIKeyVKDXWCRZZRHWAI-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.13
Rot. Bonds8

About N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide

N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide (PubChem CID 146303110) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide
PubChem CID146303110
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide
SMILESCCC(C)NC(=O)C(C)CCC(C)OC(C)C
InChIInChI=1S/C14H29NO2/c1-7-12(5)15-14(16)11(4)8-9-13(6)17-10(2)3/h10-13H,7-9H2,1-6H3,(H,15,16)
InChIKeyVKDXWCRZZRHWAI-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
N-butan-2-yl-2-propylpentanamide
CID 115532227
S-propan-2-yl 5-(butan-2-ylcarbamoyl)-2-methylheptanethioate
CID 129274024
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
3-[1-(butan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-2-methylpropanoic acid
CID 64914907
2-methyl-N-propan-2-ylpentanamide
CID 4628268
N-(2-propan-2-yloxypropyl)butan-2-amine
CID 62567669

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide?
The IUPAC name of N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide (CID 146303110) is N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide?
The canonical SMILES for N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide is CCC(C)NC(=O)C(C)CCC(C)OC(C)C.
What is the InChIKey of N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide?
The InChIKey is VKDXWCRZZRHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-12(5)15-14(16)11(4)8-9-13(6)17-10(2)3/h10-13H,7-9H2,1-6H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide?
N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide has a molecular weight of 243.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-5-propan-2-yloxyhexanamide is sourced from PubChem (CID 146303110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).