N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide

C18H22N2O4 — CID 95777270

IUPACN-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide
SMILESCOCCOC[C@H](C)NC(=O)c1ccccc1Oc1cccnc1
InChIInChI=1S/C18H22N2O4/c1-14(13-23-11-10-22-2)20-18(21)16-7-3-4-8-17(16)24-15-6-5-9-19-12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyWXSRGMBKBBIGGQ-AWEZNQCLSA-N
MW330.38 g/mol
LogP2.66
Rot. Bonds9

About N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide

N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide (PubChem CID 95777270) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide
PubChem CID95777270
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide
SMILESCOCCOC[C@H](C)NC(=O)c1ccccc1Oc1cccnc1
InChIInChI=1S/C18H22N2O4/c1-14(13-23-11-10-22-2)20-18(21)16-7-3-4-8-17(16)24-15-6-5-9-19-12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyWXSRGMBKBBIGGQ-AWEZNQCLSA-N
XLogP2.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-2-phenoxybenzamide
CID 884755
2-phenoxy-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 9468013
N-octan-2-yl-2-phenoxybenzamide
CID 4673195
1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 115655378
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
CID 86967156
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
CID 111441717
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-2-propoxybenzamide
CID 71581291
N-(1-ethoxypropan-2-yl)-2-iodobenzamide
CID 47903574

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide?
The IUPAC name of N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide (CID 95777270) is N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide is COCCOC[C@H](C)NC(=O)c1ccccc1Oc1cccnc1.
What is the InChIKey of N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide?
The InChIKey is WXSRGMBKBBIGGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-14(13-23-11-10-22-2)20-18(21)16-7-3-4-8-17(16)24-15-6-5-9-19-12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide?
N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyethoxy)propan-2-yl]-2-pyridin-3-yloxybenzamide is sourced from PubChem (CID 95777270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).