N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide

C15H23NO2 — CID 110788062

IUPACN-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(C)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-5-6-15(17)16-8-7-13-9-12(3)14(18-4)10-11(13)2/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyKXQBUZWDSSAHNP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide (PubChem CID 110788062) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
PubChem CID110788062
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(C)c(OC)cc1C
InChIInChI=1S/C15H23NO2/c1-5-6-15(17)16-8-7-13-9-12(3)14(18-4)10-11(13)2/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyKXQBUZWDSSAHNP-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
CID 115173936
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide?
The IUPAC name of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide (CID 110788062) is N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide is CCCC(=O)NCCc1cc(C)c(OC)cc1C.
What is the InChIKey of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide?
The InChIKey is KXQBUZWDSSAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-6-15(17)16-8-7-13-9-12(3)14(18-4)10-11(13)2/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide?
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 110788062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).