N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide

C20H24N2O4 — CID 42481284

IUPACN-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cc(CN(Cc2cccnc2)C(C)=O)ccc1O[C@H]1CCOC1
InChIInChI=1S/C20H24N2O4/c1-15(23)22(13-17-4-3-8-21-11-17)12-16-5-6-19(20(10-16)24-2)26-18-7-9-25-14-18/h3-6,8,10-11,18H,7,9,12-14H2,1-2H3/t18-/m0/s1
InChIKeyWSPYREJAGVRYGK-SFHVURJKSA-N
MW356.42 g/mol
LogP2.81
Rot. Bonds7

About N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide

N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42481284) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID42481284
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1cc(CN(Cc2cccnc2)C(C)=O)ccc1O[C@H]1CCOC1
InChIInChI=1S/C20H24N2O4/c1-15(23)22(13-17-4-3-8-21-11-17)12-16-5-6-19(20(10-16)24-2)26-18-7-9-25-14-18/h3-6,8,10-11,18H,7,9,12-14H2,1-2H3/t18-/m0/s1
InChIKeyWSPYREJAGVRYGK-SFHVURJKSA-N
XLogP2.81
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 45225911
(E)-3-(2-chlorophenyl)-N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42366526
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 45190737
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,3-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-5-carboxamide
CID 45236153
1-N,1-N-diethyl-4-N-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 10433759
5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)anilino]-2-(trifluoromethyl)benzoic acid
CID 10323212
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705
N-[[4-methoxy-3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 42435212

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide (CID 42481284) is N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide is COc1cc(CN(Cc2cccnc2)C(C)=O)ccc1O[C@H]1CCOC1.
What is the InChIKey of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WSPYREJAGVRYGK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(23)22(13-17-4-3-8-21-11-17)12-16-5-6-19(20(10-16)24-2)26-18-7-9-25-14-18/h3-6,8,10-11,18H,7,9,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42481284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).