N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide

C18H22N2O3 — CID 110904510

IUPACN-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
SMILESCc1cccc(OCC(O)CNC(=O)CCc2cccnc2)c1
InChIInChI=1S/C18H22N2O3/c1-14-4-2-6-17(10-14)23-13-16(21)12-20-18(22)8-7-15-5-3-9-19-11-15/h2-6,9-11,16,21H,7-8,12-13H2,1H3,(H,20,22)
InChIKeyCSSIRIDZUVKMPS-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.88
Rot. Bonds8

About N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide

N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide (PubChem CID 110904510) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
PubChem CID110904510
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
SMILESCc1cccc(OCC(O)CNC(=O)CCc2cccnc2)c1
InChIInChI=1S/C18H22N2O3/c1-14-4-2-6-17(10-14)23-13-16(21)12-20-18(22)8-7-15-5-3-9-19-11-15/h2-6,9-11,16,21H,7-8,12-13H2,1H3,(H,20,22)
InChIKeyCSSIRIDZUVKMPS-UHFFFAOYSA-N
XLogP1.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
CID 86828425
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide (CID 110904510) is N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide is Cc1cccc(OCC(O)CNC(=O)CCc2cccnc2)c1.
What is the InChIKey of N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide?
The InChIKey is CSSIRIDZUVKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-4-2-6-17(10-14)23-13-16(21)12-20-18(22)8-7-15-5-3-9-19-11-15/h2-6,9-11,16,21H,7-8,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide?
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110904510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).