N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide

C22H24N2O3 — CID 55337121

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cc3ccccc3cc2O)N(C)C)c1
InChIInChI=1S/C22H24N2O3/c1-24(2)20(17-9-6-10-18(11-17)27-3)14-23-22(26)19-12-15-7-4-5-8-16(15)13-21(19)25/h4-13,20,25H,14H2,1-3H3,(H,23,26)
InChIKeyPPXBGLVFJJIAFL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 55337121) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID55337121
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cc3ccccc3cc2O)N(C)C)c1
InChIInChI=1S/C22H24N2O3/c1-24(2)20(17-9-6-10-18(11-17)27-3)14-23-22(26)19-12-15-7-4-5-8-16(15)13-21(19)25/h4-13,20,25H,14H2,1-3H3,(H,23,26)
InChIKeyPPXBGLVFJJIAFL-UHFFFAOYSA-N
XLogP3.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.59
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
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
2-benzamido-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 55337352
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 55337326
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide (CID 55337121) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide is COc1cccc(C(CNC(=O)c2cc3ccccc3cc2O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is PPXBGLVFJJIAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24(2)20(17-9-6-10-18(11-17)27-3)14-23-22(26)19-12-15-7-4-5-8-16(15)13-21(19)25/h4-13,20,25H,14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.59, 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-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 55337121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).