N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide

C21H28N2O4 — CID 134032750

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OC)cc1O)c1cccc(OC)c1
InChIInChI=1S/C21H28N2O4/c1-5-23(6-2)19(15-8-7-9-16(12-15)26-3)14-22-21(25)18-11-10-17(27-4)13-20(18)24/h7-13,19,24H,5-6,14H2,1-4H3,(H,22,25)
InChIKeyJURVPEILTFFFFO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 134032750) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
PubChem CID134032750
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OC)cc1O)c1cccc(OC)c1
InChIInChI=1S/C21H28N2O4/c1-5-23(6-2)19(15-8-7-9-16(12-15)26-3)14-22-21(25)18-11-10-17(27-4)13-20(18)24/h7-13,19,24H,5-6,14H2,1-4H3,(H,22,25)
InChIKeyJURVPEILTFFFFO-UHFFFAOYSA-N
XLogP3.22
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 46545686
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55457788
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 46540939

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide (CID 134032750) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide is CCN(CC)C(CNC(=O)c1ccc(OC)cc1O)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is JURVPEILTFFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-23(6-2)19(15-8-7-9-16(12-15)26-3)14-22-21(25)18-11-10-17(27-4)13-20(18)24/h7-13,19,24H,5-6,14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 372.47 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 134032750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).