2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide

C16H26N2O3 — CID 81071451

IUPAC2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)11-21-14-7-4-6-13(10-14)18-16(19)15(17)8-5-9-20-3/h4,6-7,10,12,15H,5,8-9,11,17H2,1-3H3,(H,18,19)
InChIKeyMYYKKQXDIZNCLG-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.41
Rot. Bonds9

About 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide

2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide (PubChem CID 81071451) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
PubChem CID81071451
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc(OCC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)11-21-14-7-4-6-13(10-14)18-16(19)15(17)8-5-9-20-3/h4,6-7,10,12,15H,5,8-9,11,17H2,1-3H3,(H,18,19)
InChIKeyMYYKKQXDIZNCLG-UHFFFAOYSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide (CID 81071451) is 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide is COCCCC(N)C(=O)Nc1cccc(OCC(C)C)c1.
What is the InChIKey of 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide?
The InChIKey is MYYKKQXDIZNCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)11-21-14-7-4-6-13(10-14)18-16(19)15(17)8-5-9-20-3/h4,6-7,10,12,15H,5,8-9,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide?
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide has a molecular weight of 294.39 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 81071451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).