N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide

C21H28N2O3 — CID 31322613

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-5-14-26-17-12-10-16(11-13-17)21(24)22-15-19(23(2)3)18-8-6-7-9-20(18)25-4/h6-13,19H,5,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyWGFGINIEBVKZSZ-IBGZPJMESA-N
MW356.47 g/mol
LogP3.52
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide (PubChem CID 31322613) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
PubChem CID31322613
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-5-14-26-17-12-10-16(11-13-17)21(24)22-15-19(23(2)3)18-8-6-7-9-20(18)25-4/h6-13,19H,5,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyWGFGINIEBVKZSZ-IBGZPJMESA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87002114
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 9220223
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
CID 18589070
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide (CID 31322613) is N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
The InChIKey is WGFGINIEBVKZSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-14-26-17-12-10-16(11-13-17)21(24)22-15-19(23(2)3)18-8-6-7-9-20(18)25-4/h6-13,19H,5,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide?
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide is sourced from PubChem (CID 31322613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).