2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide

C11H24N2O3 — CID 62476611

IUPAC2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCOCCC(N)C(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)16-7-4-6-13-11(14)10(12)5-8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyYJSRMAPZCCMJSE-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.28
Rot. Bonds9

About 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide

2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 62476611) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID62476611
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCOCCC(N)C(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)16-7-4-6-13-11(14)10(12)5-8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyYJSRMAPZCCMJSE-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.28
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

(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide (CID 62476611) is 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide is COCCC(N)C(=O)NCCCOC(C)C.
What is the InChIKey of 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is YJSRMAPZCCMJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(2)16-7-4-6-13-11(14)10(12)5-8-15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 232.32 g/mol, XLogP of 0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 62476611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).