2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide

C22H30N2O2 — CID 56546435

IUPAC2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
SMILESCCOc1ccc(CN(C)C(=O)C(c2ccccc2)N(CC)CC)cc1
InChIInChI=1S/C22H30N2O2/c1-5-24(6-2)21(19-11-9-8-10-12-19)22(25)23(4)17-18-13-15-20(16-14-18)26-7-3/h8-16,21H,5-7,17H2,1-4H3
InChIKeyPCTDAODJQVTGIB-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.13
Rot. Bonds9

About 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide

2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide (PubChem CID 56546435) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
PubChem CID56546435
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
SMILESCCOc1ccc(CN(C)C(=O)C(c2ccccc2)N(CC)CC)cc1
InChIInChI=1S/C22H30N2O2/c1-5-24(6-2)21(19-11-9-8-10-12-19)22(25)23(4)17-18-13-15-20(16-14-18)26-7-3/h8-16,21H,5-7,17H2,1-4H3
InChIKeyPCTDAODJQVTGIB-UHFFFAOYSA-N
XLogP4.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
N-cyclopropyl-2-[(4-ethoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 46823044
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
2-[ethyl(methyl)amino]-N-methyl-N-(3-phenoxypropyl)-2-phenylacetamide
CID 56510183
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide (CID 56546435) is 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide is CCOc1ccc(CN(C)C(=O)C(c2ccccc2)N(CC)CC)cc1.
What is the InChIKey of 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide?
The InChIKey is PCTDAODJQVTGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-5-24(6-2)21(19-11-9-8-10-12-19)22(25)23(4)17-18-13-15-20(16-14-18)26-7-3/h8-16,21H,5-7,17H2,1-4H3.
What are the key properties of 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide?
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide has a molecular weight of 354.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 56546435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).