N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide

C19H17NO4 — CID 8797393

IUPACN-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H17NO4/c1-23-14-9-13(10-15(11-14)24-2)19(22)20-18-16-6-4-3-5-12(16)7-8-17(18)21/h3-11,21H,1-2H3,(H,20,22)
InChIKeyDOVLCDYXVHTBOV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.81
Rot. Bonds4

About N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide

N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide (PubChem CID 8797393) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
PubChem CID8797393
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H17NO4/c1-23-14-9-13(10-15(11-14)24-2)19(22)20-18-16-6-4-3-5-12(16)7-8-17(18)21/h3-11,21H,1-2H3,(H,20,22)
InChIKeyDOVLCDYXVHTBOV-UHFFFAOYSA-N
XLogP3.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
3-[(3,5-dimethoxybenzoyl)amino]-N,N-diethyl-1-benzofuran-2-carboxamide
CID 22511094
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753869
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
CID 142877709
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
4-ethyl-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]benzamide
CID 17099877
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-3-naphthalen-1-ylurea
CID 163818652
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide (CID 8797393) is N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2c(O)ccc3ccccc23)c1.
What is the InChIKey of N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide?
The InChIKey is DOVLCDYXVHTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-14-9-13(10-15(11-14)24-2)19(22)20-18-16-6-4-3-5-12(16)7-8-17(18)21/h3-11,21H,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide?
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide has a molecular weight of 323.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 8797393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).