N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C22H26N2O3 — CID 55650557

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3C)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-4-27-19-11-5-16(6-12-19)14-24(3)22(26)17-7-9-18(10-8-17)23-21(25)20-13-15(20)2/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQRALVTDUAWTCGT-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55650557) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID55650557
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3C)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-4-27-19-11-5-16(6-12-19)14-24(3)22(26)17-7-9-18(10-8-17)23-21(25)20-13-15(20)2/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQRALVTDUAWTCGT-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46431000
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55650557) is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3C)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is QRALVTDUAWTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-27-19-11-5-16(6-12-19)14-24(3)22(26)17-7-9-18(10-8-17)23-21(25)20-13-15(20)2/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55650557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).