N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide

C16H25NO2 — CID 46764187

IUPACN-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO2/c1-5-15(16(18)17-10-9-12(2)3)19-14-8-6-7-13(4)11-14/h6-8,11-12,15H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyAZLNZWKAUNHOGZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

About N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide

N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide (PubChem CID 46764187) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
PubChem CID46764187
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCCC(C)C
InChIInChI=1S/C16H25NO2/c1-5-15(16(18)17-10-9-12(2)3)19-14-8-6-7-13(4)11-14/h6-8,11-12,15H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyAZLNZWKAUNHOGZ-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
N-[(2R)-2-(ethylamino)propyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 120652172
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 43905864
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide (CID 46764187) is N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide?
The InChIKey is AZLNZWKAUNHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-15(16(18)17-10-9-12(2)3)19-14-8-6-7-13(4)11-14/h6-8,11-12,15H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide?
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 46764187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).