N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide

C20H26N2O3 — CID 51166343

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C20H26N2O3/c1-5-25-18-12-11-16(13-19(18)24-4)20(23)21-14-17(22(2)3)15-9-7-6-8-10-15/h6-13,17H,5,14H2,1-4H3,(H,21,23)
InChIKeyFKJIKYZAZWJGKY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide

N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 51166343) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
PubChem CID51166343
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C20H26N2O3/c1-5-25-18-12-11-16(13-19(18)24-4)20(23)21-14-17(22(2)3)15-9-7-6-8-10-15/h6-13,17H,5,14H2,1-4H3,(H,21,23)
InChIKeyFKJIKYZAZWJGKY-UHFFFAOYSA-N
XLogP3.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811
N-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3,4-diethoxybenzamide
CID 42218984
methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24640038

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide (CID 51166343) is N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)NCC(c2ccccc2)N(C)C)cc1OC.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is FKJIKYZAZWJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-25-18-12-11-16(13-19(18)24-4)20(23)21-14-17(22(2)3)15-9-7-6-8-10-15/h6-13,17H,5,14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 51166343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).