2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide

C18H17NO3 — CID 51332507

IUPAC2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide
SMILESCOc1cccc(C(=O)NCC#Cc2ccccc2)c1OC
InChIInChI=1S/C18H17NO3/c1-21-16-12-6-11-15(17(16)22-2)18(20)19-13-7-10-14-8-4-3-5-9-14/h3-6,8-9,11-12H,13H2,1-2H3,(H,19,20)
InChIKeyBDUPOHHFYXVVOY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.49
Rot. Bonds4

About 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide

2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 51332507) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID51332507
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide
SMILESCOc1cccc(C(=O)NCC#Cc2ccccc2)c1OC
InChIInChI=1S/C18H17NO3/c1-21-16-12-6-11-15(17(16)22-2)18(20)19-13-7-10-14-8-4-3-5-9-14/h3-6,8-9,11-12H,13H2,1-2H3,(H,19,20)
InChIKeyBDUPOHHFYXVVOY-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2,3-dimethoxybenzamide
CID 90550033
N-[3-(2-chlorophenyl)prop-2-ynyl]-2,3-dimethoxybenzamide
CID 90548664
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide (CID 51332507) is 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide is COc1cccc(C(=O)NCC#Cc2ccccc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is BDUPOHHFYXVVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-16-12-6-11-15(17(16)22-2)18(20)19-13-7-10-14-8-4-3-5-9-14/h3-6,8-9,11-12H,13H2,1-2H3,(H,19,20).
What are the key properties of 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide?
2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 51332507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).