N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C25H28N2O2 — CID 8024029

IUPACN-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-29-23-16-14-20(15-17-23)18-27(2)19-24(28)26-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyCWTBBFPQVOKWSJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.42
Rot. Bonds9

About N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8024029) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID8024029
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-29-23-16-14-20(15-17-23)18-27(2)19-24(28)26-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyCWTBBFPQVOKWSJ-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8692831
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 8024029) is N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is CWTBBFPQVOKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-29-23-16-14-20(15-17-23)18-27(2)19-24(28)26-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,3,18-19H2,1-2H3,(H,26,28).
What are the key properties of N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8024029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).