2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide

C12H26N2O3 — CID 81101222

IUPAC2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
SMILESCOCCCC(N)C(=O)NC(COC)C(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)11(8-17-4)14-12(15)10(13)6-5-7-16-3/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyWCUIEFHFGKLHSO-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.53
Rot. Bonds9

About 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide

2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide (PubChem CID 81101222) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
PubChem CID81101222
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
SMILESCOCCCC(N)C(=O)NC(COC)C(C)C
InChIInChI=1S/C12H26N2O3/c1-9(2)11(8-17-4)14-12(15)10(13)6-5-7-16-3/h9-11H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyWCUIEFHFGKLHSO-UHFFFAOYSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.53
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-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methoxypentanamide
CID 81100884
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
4-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 65049349
(2R)-2-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908600
2-amino-5-methoxy-N-octan-2-ylpentanamide
CID 81083239
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-[(2-amino-3-methoxypropanoyl)amino]-5-methoxypentanoic acid
CID 81101732
(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 81088787

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide (CID 81101222) is 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide is COCCCC(N)C(=O)NC(COC)C(C)C.
What is the InChIKey of 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
The InChIKey is WCUIEFHFGKLHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)11(8-17-4)14-12(15)10(13)6-5-7-16-3/h9-11H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide?
2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide has a molecular weight of 246.35 g/mol, XLogP of 0.53, 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-(1-methoxy-3-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 81101222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).