2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide

C18H22N2O2 — CID 119266448

IUPAC2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C18H22N2O2/c1-3-7-15(19)18(21)20-16-10-4-5-11-17(16)22-14-9-6-8-13(2)12-14/h4-6,8-12,15H,3,7,19H2,1-2H3,(H,20,21)
InChIKeyKLUYAGPHMHTCKH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.85
Rot. Bonds6

About 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide

2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide (PubChem CID 119266448) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
PubChem CID119266448
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C18H22N2O2/c1-3-7-15(19)18(21)20-16-10-4-5-11-17(16)22-14-9-6-8-13(2)12-14/h4-6,8-12,15H,3,7,19H2,1-2H3,(H,20,21)
InChIKeyKLUYAGPHMHTCKH-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 59062971
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide (CID 119266448) is 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccccc1Oc1cccc(C)c1.
What is the InChIKey of 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide?
The InChIKey is KLUYAGPHMHTCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-7-15(19)18(21)20-16-10-4-5-11-17(16)22-14-9-6-8-13(2)12-14/h4-6,8-12,15H,3,7,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide?
2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide has a molecular weight of 298.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide is sourced from PubChem (CID 119266448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).