3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide

C16H26N2O3 — CID 106277568

IUPAC3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(O)COc1ccc(C)cc1
InChIInChI=1S/C16H26N2O3/c1-12-5-7-14(8-6-12)21-10-13(19)9-18-11-16(2,3)15(20)17-4/h5-8,13,18-19H,9-11H2,1-4H3,(H,17,20)
InChIKeyOJKQZTNLIQDHRH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.10
Rot. Bonds8

About 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide

3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106277568) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106277568
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(O)COc1ccc(C)cc1
InChIInChI=1S/C16H26N2O3/c1-12-5-7-14(8-6-12)21-10-13(19)9-18-11-16(2,3)15(20)17-4/h5-8,13,18-19H,9-11H2,1-4H3,(H,17,20)
InChIKeyOJKQZTNLIQDHRH-UHFFFAOYSA-N
XLogP1.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106276848
3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106277228
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106276298
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
CID 60720370
ethyl (3S)-3-hydroxy-4-(4-methylphenoxy)butanoate
CID 129404710
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide (CID 106277568) is 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(O)COc1ccc(C)cc1.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is OJKQZTNLIQDHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-5-7-14(8-6-12)21-10-13(19)9-18-11-16(2,3)15(20)17-4/h5-8,13,18-19H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 294.39 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).