N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide

C16H25NO2 — CID 110355408

IUPACN-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
SMILESCOCCNC(=O)CC(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)15(11-16(18)17-9-10-19-4)14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3,(H,17,18)
InChIKeyHZMTXJLHBUDKJD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.89
Rot. Bonds7

About N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide

N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide (PubChem CID 110355408) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
PubChem CID110355408
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
SMILESCOCCNC(=O)CC(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)15(11-16(18)17-9-10-19-4)14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3,(H,17,18)
InChIKeyHZMTXJLHBUDKJD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate
CID 123813154
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide
CID 110355247
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]acetamide
CID 111622338
4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pentanamide
CID 110354876
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 40838358
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
CID 110354079
3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylhexanamide
CID 110355420
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide (CID 110355408) is N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide is COCCNC(=O)CC(c1ccc(C)cc1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide?
The InChIKey is HZMTXJLHBUDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)15(11-16(18)17-9-10-19-4)14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide?
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide is sourced from PubChem (CID 110355408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).