N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C22H26N2O3 — CID 47028913

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCOCc1ccccc1CNC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C22H26N2O3/c1-3-27-14-18-8-5-4-7-17(18)13-23-21(25)16-9-6-10-19(12-16)24-22(26)20-11-15(20)2/h4-10,12,15,20H,3,11,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLYOCNRJAAATAPF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.75
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 47028913) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID47028913
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCOCc1ccccc1CNC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C22H26N2O3/c1-3-27-14-18-8-5-4-7-17(18)13-23-21(25)16-9-6-10-19(12-16)24-22(26)20-11-15(20)2/h4-10,12,15,20H,3,11,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLYOCNRJAAATAPF-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651098
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517981
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714267
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 47028913) is N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CCOCc1ccccc1CNC(=O)c1cccc(NC(=O)C2CC2C)c1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is LYOCNRJAAATAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-14-18-8-5-4-7-17(18)13-23-21(25)16-9-6-10-19(12-16)24-22(26)20-11-15(20)2/h4-10,12,15,20H,3,11,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 47028913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).