N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide

C21H22N2O2 — CID 41276041

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C21H22N2O2/c1-23(2)14-18-10-6-5-9-17(18)13-22-21(25)19-11-15-7-3-4-8-16(15)12-20(19)24/h3-12,24H,13-14H2,1-2H3,(H,22,25)
InChIKeyNRFDWYHAAHSWRJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.54
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 41276041) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID41276041
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C21H22N2O2/c1-23(2)14-18-10-6-5-9-17(18)13-22-21(25)19-11-15-7-3-4-8-16(15)12-20(19)24/h3-12,24H,13-14H2,1-2H3,(H,22,25)
InChIKeyNRFDWYHAAHSWRJ-UHFFFAOYSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167775
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130
5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-nitrobenzamide
CID 9069339
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 24595934
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide (CID 41276041) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide is CN(C)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is NRFDWYHAAHSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(2)14-18-10-6-5-9-17(18)13-22-21(25)19-11-15-7-3-4-8-16(15)12-20(19)24/h3-12,24H,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 41276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).