2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide

C15H24N2O3 — CID 81363764

IUPAC2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOCCCC(N)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O3/c1-11(12-6-8-13(20-3)9-7-12)17-15(18)14(16)5-4-10-19-2/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyCUYASOVIPPAHHN-ZSOXZCCMSA-N
MW280.37 g/mol
LogP1.63
Rot. Bonds8

About 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide

2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide (PubChem CID 81363764) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
PubChem CID81363764
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOCCCC(N)C(=O)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O3/c1-11(12-6-8-13(20-3)9-7-12)17-15(18)14(16)5-4-10-19-2/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)/t11-,14?/m0/s1
InChIKeyCUYASOVIPPAHHN-ZSOXZCCMSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.63
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-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide (CID 81363764) is 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide is COCCCC(N)C(=O)N[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is CUYASOVIPPAHHN-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(12-6-8-13(20-3)9-7-12)17-15(18)14(16)5-4-10-19-2/h6-9,11,14H,4-5,10,16H2,1-3H3,(H,17,18)/t11-,14?/m0/s1.
What are the key properties of 2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide?
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 280.37 g/mol, XLogP of 1.63, 8 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-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 81363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).