3-amino-3-methyl-N-(3-propoxypropyl)butanamide

C11H24N2O2 — CID 82940158

IUPAC3-amino-3-methyl-N-(3-propoxypropyl)butanamide
SMILESCCCOCCCNC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O2/c1-4-7-15-8-5-6-13-10(14)9-11(2,3)12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyGHPVYDOGYTVARG-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.05
Rot. Bonds8

About 3-amino-3-methyl-N-(3-propoxypropyl)butanamide

3-amino-3-methyl-N-(3-propoxypropyl)butanamide (PubChem CID 82940158) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(3-propoxypropyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(3-propoxypropyl)butanamide
PubChem CID82940158
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-3-methyl-N-(3-propoxypropyl)butanamide
SMILESCCCOCCCNC(=O)CC(C)(C)N
InChIInChI=1S/C11H24N2O2/c1-4-7-15-8-5-6-13-10(14)9-11(2,3)12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyGHPVYDOGYTVARG-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.05
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-methyl-4-oxo-2-propan-2-yl-4-(3-propoxypropylamino)butanoic acid
CID 82940325
3-[(3-amino-3-methylbutanoyl)amino]propyl nitrate
CID 14210777
N'-(3-propoxypropyl)butanediamide
CID 153375512
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
CID 106306751
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(3-propoxypropyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(3-propoxypropyl)butanamide (CID 82940158) is 3-amino-3-methyl-N-(3-propoxypropyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(3-propoxypropyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(3-propoxypropyl)butanamide is CCCOCCCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(3-propoxypropyl)butanamide?
The InChIKey is GHPVYDOGYTVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-15-8-5-6-13-10(14)9-11(2,3)12/h4-9,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-3-methyl-N-(3-propoxypropyl)butanamide?
3-amino-3-methyl-N-(3-propoxypropyl)butanamide has a molecular weight of 216.32 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(3-propoxypropyl)butanamide is sourced from PubChem (CID 82940158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).