N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide

C21H28N2O2 — CID 53284316

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-6-20(25-19-12-7-15(2)16(3)13-19)21(24)22-14-17-8-10-18(11-9-17)23(4)5/h7-13,20H,6,14H2,1-5H3,(H,22,24)
InChIKeyFORFTICEJXAQCT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.84
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 53284316) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide
PubChem CID53284316
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-6-20(25-19-12-7-15(2)16(3)13-19)21(24)22-14-17-8-10-18(11-9-17)23(4)5/h7-13,20H,6,14H2,1-5H3,(H,22,24)
InChIKeyFORFTICEJXAQCT-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
(2S)-2-(3,4-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015557
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide (CID 53284316) is N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is FORFTICEJXAQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-20(25-19-12-7-15(2)16(3)13-19)21(24)22-14-17-8-10-18(11-9-17)23(4)5/h7-13,20H,6,14H2,1-5H3,(H,22,24).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 340.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 53284316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).