N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide

C18H22N2O3 — CID 3951994

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2O)N(C)C)cc1
InChIInChI=1S/C18H22N2O3/c1-20(2)16(13-8-10-14(23-3)11-9-13)12-19-18(22)15-6-4-5-7-17(15)21/h4-11,16,21H,12H2,1-3H3,(H,19,22)
InChIKeyQTTNRPRHBVSVQJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide (PubChem CID 3951994) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
PubChem CID3951994
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2O)N(C)C)cc1
InChIInChI=1S/C18H22N2O3/c1-20(2)16(13-8-10-14(23-3)11-9-13)12-19-18(22)15-6-4-5-7-17(15)21/h4-11,16,21H,12H2,1-3H3,(H,19,22)
InChIKeyQTTNRPRHBVSVQJ-UHFFFAOYSA-N
XLogP2.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 2121688
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
CID 30314343
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 45001824
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 41318549
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55328422
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide (CID 3951994) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide is COc1ccc(C(CNC(=O)c2ccccc2O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide?
The InChIKey is QTTNRPRHBVSVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(2)16(13-8-10-14(23-3)11-9-13)12-19-18(22)15-6-4-5-7-17(15)21/h4-11,16,21H,12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 3951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).