N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide

C21H27NO3 — CID 132652272

IUPACN-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1ccccc1OC)c1ccc(C)c(C)c1
InChIInChI=1S/C21H27NO3/c1-6-18(17-12-11-14(2)15(3)13-17)22-21(23)16(4)25-20-10-8-7-9-19(20)24-5/h7-13,16,18H,6H2,1-5H3,(H,22,23)
InChIKeyONUOKXAQXNKTTM-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.35
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide

N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 132652272) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
PubChem CID132652272
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1ccccc1OC)c1ccc(C)c(C)c1
InChIInChI=1S/C21H27NO3/c1-6-18(17-12-11-14(2)15(3)13-17)22-21(23)16(4)25-20-10-8-7-9-19(20)24-5/h7-13,16,18H,6H2,1-5H3,(H,22,23)
InChIKeyONUOKXAQXNKTTM-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133201746
2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methoxyphenoxy)propanamide
CID 133186771
(2S)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100738763
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772095

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide (CID 132652272) is N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide is CCC(NC(=O)C(C)Oc1ccccc1OC)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is ONUOKXAQXNKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-18(17-12-11-14(2)15(3)13-17)22-21(23)16(4)25-20-10-8-7-9-19(20)24-5/h7-13,16,18H,6H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide?
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 132652272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).