2-amino-5-methoxy-N-propylpentanamide

C9H20N2O2 — CID 81082005

IUPAC2-amino-5-methoxy-N-propylpentanamide
SMILESCCCNC(=O)C(N)CCCOC
InChIInChI=1S/C9H20N2O2/c1-3-6-11-9(12)8(10)5-4-7-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyWPOLXSNIUCEZIT-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.27
Rot. Bonds7

About 2-amino-5-methoxy-N-propylpentanamide

2-amino-5-methoxy-N-propylpentanamide (PubChem CID 81082005) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-propylpentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-propylpentanamide
PubChem CID81082005
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-5-methoxy-N-propylpentanamide
SMILESCCCNC(=O)C(N)CCCOC
InChIInChI=1S/C9H20N2O2/c1-3-6-11-9(12)8(10)5-4-7-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyWPOLXSNIUCEZIT-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.27
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

2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
2-amino-N-propylpentanamide
CID 43649977
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
2-amino-N-ethylsulfonyl-5-methoxypentanamide
CID 103307121

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-propylpentanamide?
The IUPAC name of 2-amino-5-methoxy-N-propylpentanamide (CID 81082005) is 2-amino-5-methoxy-N-propylpentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-propylpentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-propylpentanamide is CCCNC(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-5-methoxy-N-propylpentanamide?
The InChIKey is WPOLXSNIUCEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-6-11-9(12)8(10)5-4-7-13-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-5-methoxy-N-propylpentanamide?
2-amino-5-methoxy-N-propylpentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-propylpentanamide is sourced from PubChem (CID 81082005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).