N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide

C23H31NO3 — CID 133186528

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(C)Oc2cccc(C)c2)cc1C(C)C
InChIInChI=1S/C23H31NO3/c1-14(2)20-13-21(16(4)12-22(20)26-7)17(5)24-23(25)18(6)27-19-10-8-9-15(3)11-19/h8-14,17-18H,1-7H3,(H,24,25)
InChIKeyNTOICUMCTIZWHK-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.08
Rot. Bonds7

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 133186528) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID133186528
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(C)Oc2cccc(C)c2)cc1C(C)C
InChIInChI=1S/C23H31NO3/c1-14(2)20-13-21(16(4)12-22(20)26-7)17(5)24-23(25)18(6)27-19-10-8-9-15(3)11-19/h8-14,17-18H,1-7H3,(H,24,25)
InChIKeyNTOICUMCTIZWHK-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 133217488
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217502
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide (CID 133186528) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide is COc1cc(C)c(C(C)NC(=O)C(C)Oc2cccc(C)c2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is NTOICUMCTIZWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-14(2)20-13-21(16(4)12-22(20)26-7)17(5)24-23(25)18(6)27-19-10-8-9-15(3)11-19/h8-14,17-18H,1-7H3,(H,24,25).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 369.51 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 133186528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).