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

C11H24N2O2 — CID 81086754

IUPAC4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(CN)CC(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)15-6-4-5-13-11(14)7-10(3)8-12/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyTVPQVUMOQVALGP-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds8

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

4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 81086754) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID81086754
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(CN)CC(=O)NCCCOC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)15-6-4-5-13-11(14)7-10(3)8-12/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyTVPQVUMOQVALGP-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
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

4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
CID 81086781
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
3-amino-N-(4-propan-2-yloxybutyl)hexanamide
CID 106011504
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide (CID 81086754) is 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide is CC(CN)CC(=O)NCCCOC(C)C.
What is the InChIKey of 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is TVPQVUMOQVALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)15-6-4-5-13-11(14)7-10(3)8-12/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide?
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 81086754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).