3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide

C24H31N3O3 — CID 42368292

IUPAC3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CNC3CCCCCC3)cc(NC(C)=O)c2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(28)26-22-14-18(16-25-20-7-5-3-4-6-8-20)13-19(15-22)24(29)27-21-9-11-23(30-2)12-10-21/h9-15,20,25H,3-8,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLSBPQDFNFHQFAV-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.72
Rot. Bonds7

About 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide

3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 42368292) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide
PubChem CID42368292
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(CNC3CCCCCC3)cc(NC(C)=O)c2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(28)26-22-14-18(16-25-20-7-5-3-4-6-8-20)13-19(15-22)24(29)27-21-9-11-23(30-2)12-10-21/h9-15,20,25H,3-8,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLSBPQDFNFHQFAV-UHFFFAOYSA-N
XLogP4.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
CID 118759804
3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide
CID 126465306
2-amino-N-[4-[(cyclohexylamino)methyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 69229388
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
4-(cyclohexylcarbamothioylamino)-N-(4-methoxyphenyl)benzamide
CID 8624627
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide (CID 42368292) is 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(CNC3CCCCCC3)cc(NC(C)=O)c2)cc1.
What is the InChIKey of 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is LSBPQDFNFHQFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(28)26-22-14-18(16-25-20-7-5-3-4-6-8-20)13-19(15-22)24(29)27-21-9-11-23(30-2)12-10-21/h9-15,20,25H,3-8,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide?
3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-[(cycloheptylamino)methyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 42368292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).