N-[(2-butyl-5-methoxyphenyl)methyl]butanamide

C16H25NO2 — CID 71107303

IUPACN-[(2-butyl-5-methoxyphenyl)methyl]butanamide
SMILESCCCCc1ccc(OC)cc1CNC(=O)CCC
InChIInChI=1S/C16H25NO2/c1-4-6-8-13-9-10-15(19-3)11-14(13)12-17-16(18)7-5-2/h9-11H,4-8,12H2,1-3H3,(H,17,18)
InChIKeyMDXRYOGLJXQOGY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.45
Rot. Bonds8

About N-[(2-butyl-5-methoxyphenyl)methyl]butanamide

N-[(2-butyl-5-methoxyphenyl)methyl]butanamide (PubChem CID 71107303) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-butyl-5-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(2-butyl-5-methoxyphenyl)methyl]butanamide
PubChem CID71107303
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-butyl-5-methoxyphenyl)methyl]butanamide
SMILESCCCCc1ccc(OC)cc1CNC(=O)CCC
InChIInChI=1S/C16H25NO2/c1-4-6-8-13-9-10-15(19-3)11-14(13)12-17-16(18)7-5-2/h9-11H,4-8,12H2,1-3H3,(H,17,18)
InChIKeyMDXRYOGLJXQOGY-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dibutyl-4-methoxybenzene
CID 153315966
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 20993607
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-5-methoxyphenyl)methyl]butanamide?
The IUPAC name of N-[(2-butyl-5-methoxyphenyl)methyl]butanamide (CID 71107303) is N-[(2-butyl-5-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-[(2-butyl-5-methoxyphenyl)methyl]butanamide?
The canonical SMILES for N-[(2-butyl-5-methoxyphenyl)methyl]butanamide is CCCCc1ccc(OC)cc1CNC(=O)CCC.
What is the InChIKey of N-[(2-butyl-5-methoxyphenyl)methyl]butanamide?
The InChIKey is MDXRYOGLJXQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-8-13-9-10-15(19-3)11-14(13)12-17-16(18)7-5-2/h9-11H,4-8,12H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-butyl-5-methoxyphenyl)methyl]butanamide?
N-[(2-butyl-5-methoxyphenyl)methyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-5-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 71107303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).