(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide

C17H27NO4 — CID 162405136

IUPAC(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
SMILESCOc1ccc([C@@H](O)CC(=O)N(C(C)C)C(C)C)cc1OC
InChIInChI=1S/C17H27NO4/c1-11(2)18(12(3)4)17(20)10-14(19)13-7-8-15(21-5)16(9-13)22-6/h7-9,11-12,14,19H,10H2,1-6H3/t14-/m0/s1
InChIKeyFNQWHQNSVGYNGS-AWEZNQCLSA-N
MW309.41 g/mol
LogP2.77
Rot. Bonds7

About (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide

(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide (PubChem CID 162405136) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
PubChem CID162405136
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
SMILESCOc1ccc([C@@H](O)CC(=O)N(C(C)C)C(C)C)cc1OC
InChIInChI=1S/C17H27NO4/c1-11(2)18(12(3)4)17(20)10-14(19)13-7-8-15(21-5)16(9-13)22-6/h7-9,11-12,14,19H,10H2,1-6H3/t14-/m0/s1
InChIKeyFNQWHQNSVGYNGS-AWEZNQCLSA-N
XLogP2.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 66044092
3-(3-bromo-4-methoxyphenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893313
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide (CID 162405136) is (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide is COc1ccc([C@@H](O)CC(=O)N(C(C)C)C(C)C)cc1OC.
What is the InChIKey of (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide?
The InChIKey is FNQWHQNSVGYNGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO4/c1-11(2)18(12(3)4)17(20)10-14(19)13-7-8-15(21-5)16(9-13)22-6/h7-9,11-12,14,19H,10H2,1-6H3/t14-/m0/s1.
What are the key properties of (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide?
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide has a molecular weight of 309.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 162405136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).