4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide

C21H25NO3 — CID 78781704

IUPAC4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C21H25NO3/c1-16-7-4-5-8-19(16)15-22(3)21(24)9-6-14-25-20-12-10-18(11-13-20)17(2)23/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3
InChIKeyDSXAHSHVWZHEEX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide

4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 78781704) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID78781704
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C21H25NO3/c1-16-7-4-5-8-19(16)15-22(3)21(24)9-6-14-25-20-12-10-18(11-13-20)17(2)23/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3
InChIKeyDSXAHSHVWZHEEX-UHFFFAOYSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-acetylphenoxy)butanoyl-methylamino]acetic acid
CID 119171961
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 78892329
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
4-[3-(2-methylphenyl)propoxy]benzoic acid
CID 70113014
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454
4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
CID 78853768
4-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100652540

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 78781704) is 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide is CC(=O)c1ccc(OCCCC(=O)N(C)Cc2ccccc2C)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is DSXAHSHVWZHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-7-4-5-8-19(16)15-22(3)21(24)9-6-14-25-20-12-10-18(11-13-20)17(2)23/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3.
What are the key properties of 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 78781704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).