N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide

C21H27NO3 — CID 93487568

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO3/c1-15-7-12-20(16(2)14-15)17(3)22-21(23)6-5-13-25-19-10-8-18(24-4)9-11-19/h7-12,14,17H,5-6,13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyUMMUIWQBJSNCHM-QGZVFWFLSA-N
MW341.45 g/mol
LogP4.35
Rot. Bonds8

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 93487568) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
PubChem CID93487568
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO3/c1-15-7-12-20(16(2)14-15)17(3)22-21(23)6-5-13-25-19-10-8-18(24-4)9-11-19/h7-12,14,17H,5-6,13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyUMMUIWQBJSNCHM-QGZVFWFLSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 43909491
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(4-methylphenoxy)butanamide
CID 8008912
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 99132446
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide (CID 93487568) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is UMMUIWQBJSNCHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15-7-12-20(16(2)14-15)17(3)22-21(23)6-5-13-25-19-10-8-18(24-4)9-11-19/h7-12,14,17H,5-6,13H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 93487568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).