2-amino-5-methoxy-N-(4-methylpentyl)pentanamide

C12H26N2O2 — CID 81089350

IUPAC2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
SMILESCOCCCC(N)C(=O)NCCCC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)6-4-8-14-12(15)11(13)7-5-9-16-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyBEOSUJKGSDCKSD-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds9

About 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide

2-amino-5-methoxy-N-(4-methylpentyl)pentanamide (PubChem CID 81089350) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
PubChem CID81089350
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
SMILESCOCCCC(N)C(=O)NCCCC(C)C
InChIInChI=1S/C12H26N2O2/c1-10(2)6-4-8-14-12(15)11(13)7-5-9-16-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyBEOSUJKGSDCKSD-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
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-propylpentanamide
CID 81082005
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-amino-5-methoxy-N-(6-methylsulfanylhexyl)pentanamide
CID 114125405
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
3-[(2-amino-5-methoxypentanoyl)amino]-2-hydroxypropanoic acid
CID 81102712

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide (CID 81089350) is 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide is COCCCC(N)C(=O)NCCCC(C)C.
What is the InChIKey of 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide?
The InChIKey is BEOSUJKGSDCKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)6-4-8-14-12(15)11(13)7-5-9-16-3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-5-methoxy-N-(4-methylpentyl)pentanamide?
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 9 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-(4-methylpentyl)pentanamide is sourced from PubChem (CID 81089350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).