2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide

C20H24ClNO2 — CID 17328049

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-5-18(16-9-7-6-8-10-16)22-20(23)15(4)24-17-11-13(2)19(21)14(3)12-17/h6-12,15,18H,5H2,1-4H3,(H,22,23)
InChIKeyFLGMUJQMXXKFTH-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.99
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide (PubChem CID 17328049) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
PubChem CID17328049
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-5-18(16-9-7-6-8-10-16)22-20(23)15(4)24-17-11-13(2)19(21)14(3)12-17/h6-12,15,18H,5H2,1-4H3,(H,22,23)
InChIKeyFLGMUJQMXXKFTH-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 27522422
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328406
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide (CID 17328049) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide?
The InChIKey is FLGMUJQMXXKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-18(16-9-7-6-8-10-16)22-20(23)15(4)24-17-11-13(2)19(21)14(3)12-17/h6-12,15,18H,5H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide has a molecular weight of 345.87 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 17328049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).