2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide

C17H32N2O3 — CID 120796320

IUPAC2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
SMILESCCCCOC1CC(NC(=O)C(N)C2CCOCC2)C1(C)C
InChIInChI=1S/C17H32N2O3/c1-4-5-8-22-14-11-13(17(14,2)3)19-16(20)15(18)12-6-9-21-10-7-12/h12-15H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyJUOJXSDNMGIUKU-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.84
Rot. Bonds7

About 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide (PubChem CID 120796320) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
PubChem CID120796320
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
SMILESCCCCOC1CC(NC(=O)C(N)C2CCOCC2)C1(C)C
InChIInChI=1S/C17H32N2O3/c1-4-5-8-22-14-11-13(17(14,2)3)19-16(20)15(18)12-6-9-21-10-7-12/h12-15H,4-11,18H2,1-3H3,(H,19,20)
InChIKeyJUOJXSDNMGIUKU-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.84
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-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
(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
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
CID 119819292
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide (CID 120796320) is 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide is CCCCOC1CC(NC(=O)C(N)C2CCOCC2)C1(C)C.
What is the InChIKey of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide?
The InChIKey is JUOJXSDNMGIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-5-8-22-14-11-13(17(14,2)3)19-16(20)15(18)12-6-9-21-10-7-12/h12-15H,4-11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide has a molecular weight of 312.45 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120796320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).