N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide

C21H28N2O2 — CID 46446887

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(COC)c1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)20(18-11-7-6-8-12-18)15-22-21(24)19-13-9-10-17(14-19)16-25-3/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyDQSGBXVXIFYNOJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.65
Rot. Bonds9

About N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide

N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide (PubChem CID 46446887) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
PubChem CID46446887
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(COC)c1)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)20(18-11-7-6-8-12-18)15-22-21(24)19-13-9-10-17(14-19)16-25-3/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyDQSGBXVXIFYNOJ-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3-[[[N-[2-(diethylamino)-2-phenylethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111010782
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46446856
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 51151148
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide (CID 46446887) is N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide is CCN(CC)C(CNC(=O)c1cccc(COC)c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide?
The InChIKey is DQSGBXVXIFYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-23(5-2)20(18-11-7-6-8-12-18)15-22-21(24)19-13-9-10-17(14-19)16-25-3/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 46446887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).