5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide

C16H26N2O2 — CID 119500786

IUPAC5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
SMILESCNCCNC(=O)CCCCOc1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2/c1-13-7-8-14(2)15(12-13)20-11-5-4-6-16(19)18-10-9-17-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyJHUKYJQEBHDEDZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds9

About 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide

5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide (PubChem CID 119500786) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
PubChem CID119500786
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
SMILESCNCCNC(=O)CCCCOc1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2/c1-13-7-8-14(2)15(12-13)20-11-5-4-6-16(19)18-10-9-17-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyJHUKYJQEBHDEDZ-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylurea
CID 47897550
N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
CID 47723201
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
3-(2-bromo-4-methylphenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119503723
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
5-(2,5-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 48503193
6-(2,5-dimethylphenoxy)-2-oxohexanoic acid
CID 57182380
(2S)-2-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylbutanoic acid
CID 119359679
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide (CID 119500786) is 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide is CNCCNC(=O)CCCCOc1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide?
The InChIKey is JHUKYJQEBHDEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-7-8-14(2)15(12-13)20-11-5-4-6-16(19)18-10-9-17-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide?
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide is sourced from PubChem (CID 119500786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).