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

C11H24N2O3 — CID 103155532

IUPAC4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCOC(CN)CC(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)16-6-4-5-13-11(14)7-10(8-12)15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyRTTCDUSPWIISSO-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.28
Rot. Bonds9

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

4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 103155532) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID103155532
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
SMILESCOC(CN)CC(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)16-6-4-5-13-11(14)7-10(8-12)15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyRTTCDUSPWIISSO-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

4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
3-amino-N-(4-propan-2-yloxybutyl)hexanamide
CID 106011504
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide (CID 103155532) is 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide is COC(CN)CC(=O)NCCCOC(C)C.
What is the InChIKey of 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is RTTCDUSPWIISSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(2)16-6-4-5-13-11(14)7-10(8-12)15-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide?
4-amino-3-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 4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 103155532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).