N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide

C22H30N2O4 — CID 16549388

IUPACN-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C22H30N2O4/c1-6-24(7-2)18(16-11-9-8-10-12-16)15-23-22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyKNARHZSDKBWICK-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.53
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide

N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide (PubChem CID 16549388) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
PubChem CID16549388
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C22H30N2O4/c1-6-24(7-2)18(16-11-9-8-10-12-16)15-23-22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)
InChIKeyKNARHZSDKBWICK-UHFFFAOYSA-N
XLogP3.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 112503668
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111010947
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
N-(2-benzylsulfanyl-2-phenylethyl)-3,4,5-trimethoxybenzamide
CID 17354185
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide (CID 16549388) is N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide is CCN(CC)C(CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KNARHZSDKBWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-6-24(7-2)18(16-11-9-8-10-12-16)15-23-22(25)17-13-19(26-3)21(28-5)20(14-17)27-4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide?
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 386.49 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 16549388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).