N-[(3-methoxyphenyl)methyl]-2-methylhexanamide

C15H23NO2 — CID 163830422

IUPACN-[(3-methoxyphenyl)methyl]-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-4-5-7-12(2)15(17)16-11-13-8-6-9-14(10-13)18-3/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,16,17)
InChIKeyODFCTHRNGMCKCQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.14
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-methylhexanamide

N-[(3-methoxyphenyl)methyl]-2-methylhexanamide (PubChem CID 163830422) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-methylhexanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-methylhexanamide
PubChem CID163830422
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C15H23NO2/c1-4-5-7-12(2)15(17)16-11-13-8-6-9-14(10-13)18-3/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,16,17)
InChIKeyODFCTHRNGMCKCQ-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
5-[(3-methoxyphenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686299
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate
CID 70380566
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
(2S)-2,4-dibromo-N-[(3-methoxyphenyl)methyl]butanamide
CID 67625242
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methylhexanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methylhexanamide (CID 163830422) is N-[(3-methoxyphenyl)methyl]-2-methylhexanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-methylhexanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-methylhexanamide is CCCCC(C)C(=O)NCc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-methylhexanamide?
The InChIKey is ODFCTHRNGMCKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-7-12(2)15(17)16-11-13-8-6-9-14(10-13)18-3/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,16,17).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-methylhexanamide?
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide has a molecular weight of 249.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-methylhexanamide is sourced from PubChem (CID 163830422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).