2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide

C15H24N2O3 — CID 81082999

IUPAC2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
SMILESCCCOc1cccc(NC(=O)C(N)CCCOC)c1
InChIInChI=1S/C15H24N2O3/c1-3-9-20-13-7-4-6-12(11-13)17-15(18)14(16)8-5-10-19-2/h4,6-7,11,14H,3,5,8-10,16H2,1-2H3,(H,17,18)
InChIKeyRBYXPKONGRBKLN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.17
Rot. Bonds9

About 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide

2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide (PubChem CID 81082999) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
PubChem CID81082999
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
SMILESCCCOc1cccc(NC(=O)C(N)CCCOC)c1
InChIInChI=1S/C15H24N2O3/c1-3-9-20-13-7-4-6-12(11-13)17-15(18)14(16)8-5-10-19-2/h4,6-7,11,14H,3,5,8-10,16H2,1-2H3,(H,17,18)
InChIKeyRBYXPKONGRBKLN-UHFFFAOYSA-N
XLogP2.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.17
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-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
2-amino-5-methoxy-N-(3-nitrophenyl)pentanamide
CID 81082319
2-amino-5-methoxy-N-(3-pyrrol-1-ylphenyl)pentanamide
CID 81071300

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide (CID 81082999) is 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide is CCCOc1cccc(NC(=O)C(N)CCCOC)c1.
What is the InChIKey of 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide?
The InChIKey is RBYXPKONGRBKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-9-20-13-7-4-6-12(11-13)17-15(18)14(16)8-5-10-19-2/h4,6-7,11,14H,3,5,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide?
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide has a molecular weight of 280.37 g/mol, XLogP of 2.17, 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-propoxyphenyl)pentanamide is sourced from PubChem (CID 81082999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).