N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide

C22H30N2O3 — CID 55538099

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
SMILESCOc1ccccc1C(CNC(=O)CCCOc1ccccc1C)N(C)C
InChIInChI=1S/C22H30N2O3/c1-17-10-5-7-12-20(17)27-15-9-14-22(25)23-16-19(24(2)3)18-11-6-8-13-21(18)26-4/h5-8,10-13,19H,9,14-16H2,1-4H3,(H,23,25)
InChIKeyWRGVSCICEVZTMU-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.58
Rot. Bonds10

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

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide (PubChem CID 55538099) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
PubChem CID55538099
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
SMILESCOc1ccccc1C(CNC(=O)CCCOc1ccccc1C)N(C)C
InChIInChI=1S/C22H30N2O3/c1-17-10-5-7-12-20(17)27-15-9-14-22(25)23-16-19(24(2)3)18-11-6-8-13-21(18)26-4/h5-8,10-13,19H,9,14-16H2,1-4H3,(H,23,25)
InChIKeyWRGVSCICEVZTMU-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 55364516
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 55350071
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55678506
4-methyl-2-[[4-(2-methylphenoxy)butanoylamino]methyl]pentanoic acid
CID 119253595
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43067247
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide (CID 55538099) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide is COc1ccccc1C(CNC(=O)CCCOc1ccccc1C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is WRGVSCICEVZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17-10-5-7-12-20(17)27-15-9-14-22(25)23-16-19(24(2)3)18-11-6-8-13-21(18)26-4/h5-8,10-13,19H,9,14-16H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 370.49 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 55538099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).