N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide

C21H28N2O3 — CID 43067247

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC(c2ccccc2OC)N(C)C)c1
InChIInChI=1S/C21H28N2O3/c1-23(2)19(18-10-5-6-11-20(18)26-4)15-22-21(24)13-12-16-8-7-9-17(14-16)25-3/h5-11,14,19H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyUNMHZSJUCDZEMY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.06
Rot. Bonds9

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 43067247) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID43067247
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCC(c2ccccc2OC)N(C)C)c1
InChIInChI=1S/C21H28N2O3/c1-23(2)19(18-10-5-6-11-20(18)26-4)15-22-21(24)13-12-16-8-7-9-17(14-16)25-3/h5-11,14,19H,12-13,15H2,1-4H3,(H,22,24)
InChIKeyUNMHZSJUCDZEMY-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 43067259
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 30521125
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 55350071
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 90623282
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide (CID 43067247) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCC(c2ccccc2OC)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is UNMHZSJUCDZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-23(2)19(18-10-5-6-11-20(18)26-4)15-22-21(24)13-12-16-8-7-9-17(14-16)25-3/h5-11,14,19H,12-13,15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.06, 9 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]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 43067247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).