3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide

C18H17NO3 — CID 90549199

IUPAC3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCOc1cccc(C(=O)NCC#Cc2ccccc2OC)c1
InChIInChI=1S/C18H17NO3/c1-21-16-10-5-8-15(13-16)18(20)19-12-6-9-14-7-3-4-11-17(14)22-2/h3-5,7-8,10-11,13H,12H2,1-2H3,(H,19,20)
InChIKeySWFVLNSSAFXBGS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.49
Rot. Bonds4

About 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide

3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide (PubChem CID 90549199) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
PubChem CID90549199
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCOc1cccc(C(=O)NCC#Cc2ccccc2OC)c1
InChIInChI=1S/C18H17NO3/c1-21-16-10-5-8-15(13-16)18(20)19-12-6-9-14-7-3-4-11-17(14)22-2/h3-5,7-8,10-11,13H,12H2,1-2H3,(H,19,20)
InChIKeySWFVLNSSAFXBGS-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

3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549206
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224
N-[3-(2-methoxyphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549139
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551003
3-cyano-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzamide
CID 71802933
2,4-dimethoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 90550744
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide (CID 90549199) is 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide is COc1cccc(C(=O)NCC#Cc2ccccc2OC)c1.
What is the InChIKey of 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
The InChIKey is SWFVLNSSAFXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-16-10-5-8-15(13-16)18(20)19-12-6-9-14-7-3-4-11-17(14)22-2/h3-5,7-8,10-11,13H,12H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide?
3-methoxy-N-[3-(2-methoxyphenyl)prop-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 3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide is sourced from PubChem (CID 90549199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).