(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

C22H25N2O3+ — CID 9323567

IUPAC(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)Cc2c(O)ccc3ccc(OC)cc23)cc1
InChIInChI=1S/C22H24N2O3/c1-23-22(26)17-6-4-15(5-7-17)13-24(2)14-20-19-12-18(27-3)10-8-16(19)9-11-21(20)25/h4-12,25H,13-14H2,1-3H3,(H,23,26)/p+1
InChIKeyZWUGGGLFFCDSNN-UHFFFAOYSA-O
MW365.45 g/mol
LogP2.13
Rot. Bonds6

About (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (PubChem CID 9323567) has the molecular formula C22H25N2O3+ and a molecular weight of 365.45 g/mol. Its IUPAC name is (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
PubChem CID9323567
Molecular FormulaC22H25N2O3+
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
SMILESCNC(=O)c1ccc(C[NH+](C)Cc2c(O)ccc3ccc(OC)cc23)cc1
InChIInChI=1S/C22H24N2O3/c1-23-22(26)17-6-4-15(5-7-17)13-24(2)14-20-19-12-18(27-3)10-8-16(19)9-11-21(20)25/h4-12,25H,13-14H2,1-3H3,(H,23,26)/p+1
InChIKeyZWUGGGLFFCDSNN-UHFFFAOYSA-O
XLogP2.13
TPSA63.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003158
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003149
(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123291
[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9323148
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-nitrophenyl)methyl]azanium
CID 9003026
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
methyl-(3-methylbut-2-enyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124553
3-(2,5-dimethylphenoxy)propyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125584
(2-ethoxyphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124262
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 9003305
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 95625779

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium (CID 9323567) is (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is CNC(=O)c1ccc(C[NH+](C)Cc2c(O)ccc3ccc(OC)cc23)cc1.
What is the InChIKey of (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is ZWUGGGLFFCDSNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O3/c1-23-22(26)17-6-4-15(5-7-17)13-24(2)14-20-19-12-18(27-3)10-8-16(19)9-11-21(20)25/h4-12,25H,13-14H2,1-3H3,(H,23,26)/p+1.
What are the key properties of (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium?
(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 365.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 9323567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).