N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C21H24N2O4 — CID 46439035

IUPACN-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)C3CC3C)cc2)cc(OC)c1
InChIInChI=1S/C21H24N2O4/c1-13-8-19(13)21(25)23-16-6-4-15(5-7-16)20(24)22-12-14-9-17(26-2)11-18(10-14)27-3/h4-7,9-11,13,19H,8,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYQOVDGRBGRDRFP-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.23
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 46439035) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID46439035
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(NC(=O)C3CC3C)cc2)cc(OC)c1
InChIInChI=1S/C21H24N2O4/c1-13-8-19(13)21(25)23-16-6-4-15(5-7-16)20(24)22-12-14-9-17(26-2)11-18(10-14)27-3/h4-7,9-11,13,19H,8,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYQOVDGRBGRDRFP-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 48502755
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46431000
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
CID 84569140
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 46439035) is N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is COc1cc(CNC(=O)c2ccc(NC(=O)C3CC3C)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is YQOVDGRBGRDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-8-19(13)21(25)23-16-6-4-15(5-7-16)20(24)22-12-14-9-17(26-2)11-18(10-14)27-3/h4-7,9-11,13,19H,8,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 46439035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).