N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide

C20H25NO3 — CID 132651221

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-5-19(24-18-10-6-15(2)7-11-18)20(22)21(3)14-16-8-12-17(23-4)13-9-16/h6-13,19H,5,14H2,1-4H3
InChIKeyAGEBOJUNBJMQTA-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.82
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide (PubChem CID 132651221) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
PubChem CID132651221
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-5-19(24-18-10-6-15(2)7-11-18)20(22)21(3)14-16-8-12-17(23-4)13-9-16/h6-13,19H,5,14H2,1-4H3
InChIKeyAGEBOJUNBJMQTA-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
CID 132663506
(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186008
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 94016620
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide (CID 132651221) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide?
The InChIKey is AGEBOJUNBJMQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-19(24-18-10-6-15(2)7-11-18)20(22)21(3)14-16-8-12-17(23-4)13-9-16/h6-13,19H,5,14H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 132651221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).