N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C22H25N3O4 — CID 48502755

IUPACN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc(NC(=O)C3CC3C)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-14-11-19(14)22(28)25-17-7-5-16(6-8-17)21(27)24-13-20(26)23-12-15-3-9-18(29-2)10-4-15/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyFRIKYIIFVNVBEE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.34
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 48502755) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID48502755
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc(NC(=O)C3CC3C)cc2)cc1
InChIInChI=1S/C22H25N3O4/c1-14-11-19(14)22(28)25-17-7-5-16(6-8-17)21(27)24-13-20(26)23-12-15-3-9-18(29-2)10-4-15/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyFRIKYIIFVNVBEE-UHFFFAOYSA-N
XLogP2.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46439035
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46431000
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
N-(3-methoxypropyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46437430
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 48502755) is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is COc1ccc(CNC(=O)CNC(=O)c2ccc(NC(=O)C3CC3C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is FRIKYIIFVNVBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-11-19(14)22(28)25-17-7-5-16(6-8-17)21(27)24-13-20(26)23-12-15-3-9-18(29-2)10-4-15/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 48502755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).