3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide

C27H32N2O3 — CID 167753777

IUPAC3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCC(C)(CNC(=O)C(C)(C)C(O)c1ccc(OCc2ccccc2)cc1)c1ccncc1
InChIInChI=1S/C27H32N2O3/c1-26(2,22-14-16-28-17-15-22)19-29-25(31)27(3,4)24(30)21-10-12-23(13-11-21)32-18-20-8-6-5-7-9-20/h5-17,24,30H,18-19H2,1-4H3,(H,29,31)
InChIKeyRZYWIISFQGRBTK-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.81
Rot. Bonds9

About 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide

3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 167753777) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID167753777
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCC(C)(CNC(=O)C(C)(C)C(O)c1ccc(OCc2ccccc2)cc1)c1ccncc1
InChIInChI=1S/C27H32N2O3/c1-26(2,22-14-16-28-17-15-22)19-29-25(31)27(3,4)24(30)21-10-12-23(13-11-21)32-18-20-8-6-5-7-9-20/h5-17,24,30H,18-19H2,1-4H3,(H,29,31)
InChIKeyRZYWIISFQGRBTK-UHFFFAOYSA-N
XLogP4.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
CID 95654466
(3S)-3-hydroxy-2,2-dimethyl-3-(3-phenylmethoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 97251302
2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 111334298
methyl (3R)-3-amino-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171243427
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide (CID 167753777) is 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide is CC(C)(CNC(=O)C(C)(C)C(O)c1ccc(OCc2ccccc2)cc1)c1ccncc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is RZYWIISFQGRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-26(2,22-14-16-28-17-15-22)19-29-25(31)27(3,4)24(30)21-10-12-23(13-11-21)32-18-20-8-6-5-7-9-20/h5-17,24,30H,18-19H2,1-4H3,(H,29,31).
What are the key properties of 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 432.56 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 167753777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).