3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide

C15H24N2O3 — CID 106276229

IUPAC3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(O)COCc1ccccc1)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-15(2,14(16)19)11-17-8-13(18)10-20-9-12-6-4-3-5-7-12/h3-7,13,17-18H,8-11H2,1-2H3,(H2,16,19)
InChIKeyZEVJLRVIFPHZSP-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.67
Rot. Bonds9

About 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide

3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide (PubChem CID 106276229) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
PubChem CID106276229
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(O)COCc1ccccc1)C(N)=O
InChIInChI=1S/C15H24N2O3/c1-15(2,14(16)19)11-17-8-13(18)10-20-9-12-6-4-3-5-7-12/h3-7,13,17-18H,8-11H2,1-2H3,(H2,16,19)
InChIKeyZEVJLRVIFPHZSP-UHFFFAOYSA-N
XLogP0.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276546
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide
CID 106237845
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
CID 106276148
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
3-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276235
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide (CID 106276229) is 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide is CC(C)(CNCC(O)COCc1ccccc1)C(N)=O.
What is the InChIKey of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZEVJLRVIFPHZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,14(16)19)11-17-8-13(18)10-20-9-12-6-4-3-5-7-12/h3-7,13,17-18H,8-11H2,1-2H3,(H2,16,19).
What are the key properties of 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide?
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).