3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide

C14H30N2O3 — CID 107263051

IUPAC3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
SMILESCCCCOCC(O)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-5-6-9-19-11-12(17)10-15-8-7-13(18)16-14(2,3)4/h12,15,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyCJSLXABVUMCCCE-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.06
Rot. Bonds10

About 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide

3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide (PubChem CID 107263051) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
PubChem CID107263051
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
SMILESCCCCOCC(O)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-5-6-9-19-11-12(17)10-15-8-7-13(18)16-14(2,3)4/h12,15,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyCJSLXABVUMCCCE-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.06
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-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[(3-butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
N-tert-butyl-2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]acetamide
CID 106990312
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
1-butoxy-3-[(4-methoxy-2,2-dimethylbutyl)amino]propan-2-ol
CID 114125244

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide?
The IUPAC name of 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide (CID 107263051) is 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide is CCCCOCC(O)CNCCC(=O)NC(C)(C)C.
What is the InChIKey of 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide?
The InChIKey is CJSLXABVUMCCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-5-6-9-19-11-12(17)10-15-8-7-13(18)16-14(2,3)4/h12,15,17H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide?
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide has a molecular weight of 274.40 g/mol, XLogP of 1.06, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 107263051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).