3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide

C14H30N2O3 — CID 106276376

IUPAC3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
SMILESCCCCCCOCC(O)CNCC(C)(C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-4-5-6-7-8-19-10-12(17)9-16-11-14(2,3)13(15)18/h12,16-17H,4-11H2,1-3H3,(H2,15,18)
InChIKeyQBFQZUIHPCLBFF-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.05
Rot. Bonds12

About 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide

3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide (PubChem CID 106276376) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
PubChem CID106276376
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
SMILESCCCCCCOCC(O)CNCC(C)(C)C(N)=O
InChIInChI=1S/C14H30N2O3/c1-4-5-6-7-8-19-10-12(17)9-16-11-14(2,3)13(15)18/h12,16-17H,4-11H2,1-3H3,(H2,15,18)
InChIKeyQBFQZUIHPCLBFF-UHFFFAOYSA-N
XLogP1.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.05
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

ethyl 2-[(3-hexoxy-2-hydroxypropyl)amino]acetate
CID 54937936
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
CID 106276148
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
2-ethyl-2-[[(3-hexoxy-2-hydroxypropyl)amino]methyl]butan-1-ol
CID 106255999
2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
CID 106175962
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[(3-butoxy-2-hydroxypropyl)amino]-2,3-dimethylbutanamide
CID 112738116

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide (CID 106276376) is 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide is CCCCCCOCC(O)CNCC(C)(C)C(N)=O.
What is the InChIKey of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide?
The InChIKey is QBFQZUIHPCLBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-4-5-6-7-8-19-10-12(17)9-16-11-14(2,3)13(15)18/h12,16-17H,4-11H2,1-3H3,(H2,15,18).
What are the key properties of 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide?
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide has a molecular weight of 274.40 g/mol, XLogP of 1.05, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).