N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide

C15H23NO2 — CID 78779677

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccccc1CCNC(=O)CCC(C)C
InChIInChI=1S/C15H23NO2/c1-12(2)8-9-15(17)16-11-10-13-6-4-5-7-14(13)18-3/h4-7,12H,8-11H2,1-3H3,(H,16,17)
InChIKeyYMYQLBYFCVYZOM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide

N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 78779677) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID78779677
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccccc1CCNC(=O)CCC(C)C
InChIInChI=1S/C15H23NO2/c1-12(2)8-9-15(17)16-11-10-13-6-4-5-7-14(13)18-3/h4-7,12H,8-11H2,1-3H3,(H,16,17)
InChIKeyYMYQLBYFCVYZOM-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978581
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide (CID 78779677) is N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide is COc1ccccc1CCNC(=O)CCC(C)C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is YMYQLBYFCVYZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)8-9-15(17)16-11-10-13-6-4-5-7-14(13)18-3/h4-7,12H,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide?
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 78779677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).