(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide

C16H32N2O2 — CID 119819267

IUPAC(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
SMILESCCCCOC1CC(NC(=O)[C@@H](N)C(C)(C)C)C1(C)C
InChIInChI=1S/C16H32N2O2/c1-7-8-9-20-12-10-11(16(12,5)6)18-14(19)13(17)15(2,3)4/h11-13H,7-10,17H2,1-6H3,(H,18,19)/t11?,12?,13-/m1/s1
InChIKeyUBEFYMAKCJPZOZ-WXRRBKDZSA-N
MW284.44 g/mol
LogP2.46
Rot. Bonds6

About (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide (PubChem CID 119819267) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
PubChem CID119819267
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
SMILESCCCCOC1CC(NC(=O)[C@@H](N)C(C)(C)C)C1(C)C
InChIInChI=1S/C16H32N2O2/c1-7-8-9-20-12-10-11(16(12,5)6)18-14(19)13(17)15(2,3)4/h11-13H,7-10,17H2,1-6H3,(H,18,19)/t11?,12?,13-/m1/s1
InChIKeyUBEFYMAKCJPZOZ-WXRRBKDZSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.46
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

3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
CID 120796320
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
CID 119819292
(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632207
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide
CID 120638636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide (CID 119819267) is (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide is CCCCOC1CC(NC(=O)[C@@H](N)C(C)(C)C)C1(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide?
The InChIKey is UBEFYMAKCJPZOZ-WXRRBKDZSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-8-9-20-12-10-11(16(12,5)6)18-14(19)13(17)15(2,3)4/h11-13H,7-10,17H2,1-6H3,(H,18,19)/t11?,12?,13-/m1/s1.
What are the key properties of (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 119819267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).