3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide

C22H25N3O4 — CID 39966520

IUPAC3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C2CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-14(26)23-18-10-17(11-19(12-18)24-15(2)27)22(28)25(20-6-7-20)13-16-4-8-21(29-3)9-5-16/h4-5,8-12,20H,6-7,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHTFVTGZJNFXAOV-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.42
Rot. Bonds7

About 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide

3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 39966520) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID39966520
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C2CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-14(26)23-18-10-17(11-19(12-18)24-15(2)27)22(28)25(20-6-7-20)13-16-4-8-21(29-3)9-5-16/h4-5,8-12,20H,6-7,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHTFVTGZJNFXAOV-UHFFFAOYSA-N
XLogP3.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
4-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
CID 9298751
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide (CID 39966520) is 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C2CC2)cc1.
What is the InChIKey of 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is HTFVTGZJNFXAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(26)23-18-10-17(11-19(12-18)24-15(2)27)22(28)25(20-6-7-20)13-16-4-8-21(29-3)9-5-16/h4-5,8-12,20H,6-7,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 39966520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).