2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide

C13H28N2O3 — CID 112738116

IUPAC2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
SMILESCCCCOCC(O)CNC(C)(C(N)=O)C(C)C
InChIInChI=1S/C13H28N2O3/c1-5-6-7-18-9-11(16)8-15-13(4,10(2)3)12(14)17/h10-11,15-16H,5-9H2,1-4H3,(H2,14,17)
InChIKeyFUYXBRAZAZXKQO-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.65
Rot. Bonds10

About 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide

2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide (PubChem CID 112738116) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
PubChem CID112738116
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
SMILESCCCCOCC(O)CNC(C)(C(N)=O)C(C)C
InChIInChI=1S/C13H28N2O3/c1-5-6-7-18-9-11(16)8-15-13(4,10(2)3)12(14)17/h10-11,15-16H,5-9H2,1-4H3,(H2,14,17)
InChIKeyFUYXBRAZAZXKQO-UHFFFAOYSA-N
XLogP0.65
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913986
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
2-[(3-butoxy-2-hydroxypropyl)amino]-2-ethylpropane-1,3-diol
CID 107865217
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
2-[(3-heptadecoxy-2-hydroxypropyl)amino]-2-methylpropane-1,3-diol
CID 59593571
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993473
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide?
The IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide (CID 112738116) is 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide.
What is the SMILES notation for 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide?
The canonical SMILES for 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide is CCCCOCC(O)CNC(C)(C(N)=O)C(C)C.
What is the InChIKey of 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide?
The InChIKey is FUYXBRAZAZXKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-6-7-18-9-11(16)8-15-13(4,10(2)3)12(14)17/h10-11,15-16H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide?
2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 0.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide is sourced from PubChem (CID 112738116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).