2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide

C18H26ClNO4 — CID 156608721

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide
SMILESCOC1COCCC1NC(=O)C(C)(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H26ClNO4/c1-11-8-13(9-12(2)16(11)19)24-18(3,4)17(21)20-14-6-7-23-10-15(14)22-5/h8-9,14-15H,6-7,10H2,1-5H3,(H,20,21)
InChIKeyHXLXFRUIALBDLY-UHFFFAOYSA-N
MW355.86 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide (PubChem CID 156608721) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide
PubChem CID156608721
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide
SMILESCOC1COCCC1NC(=O)C(C)(C)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H26ClNO4/c1-11-8-13(9-12(2)16(11)19)24-18(3,4)17(21)20-14-6-7-23-10-15(14)22-5/h8-9,14-15H,6-7,10H2,1-5H3,(H,20,21)
InChIKeyHXLXFRUIALBDLY-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91766028
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide
CID 133265711
2-(2-methoxyphenoxy)-2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide
CID 91760027
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91777227
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 91761693
2-(4-chloro-3,5-dimethylphenoxy)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methylpropan-1-one
CID 135092326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide (CID 156608721) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide is COC1COCCC1NC(=O)C(C)(C)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide?
The InChIKey is HXLXFRUIALBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-11-8-13(9-12(2)16(11)19)24-18(3,4)17(21)20-14-6-7-23-10-15(14)22-5/h8-9,14-15H,6-7,10H2,1-5H3,(H,20,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide has a molecular weight of 355.86 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide is sourced from PubChem (CID 156608721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).