N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide

C25H31N3O3 — CID 9292689

IUPACN-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-31-20-14-10-18(11-15-20)23-9-3-2-6-16-28(23)17-24(29)27-22-8-5-4-7-21(22)25(30)26-19-12-13-19/h4-5,7-8,10-11,14-15,19,23H,2-3,6,9,12-13,16-17H2,1H3,(H,26,30)(H,27,29)/t23-/m1/s1
InChIKeyXNKCLAVTQWKNNR-HSZRJFAPSA-N
MW421.54 g/mol
LogP4.14
Rot. Bonds7

About N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide (PubChem CID 9292689) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
PubChem CID9292689
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-31-20-14-10-18(11-15-20)23-9-3-2-6-16-28(23)17-24(29)27-22-8-5-4-7-21(22)25(30)26-19-12-13-19/h4-5,7-8,10-11,14-15,19,23H,2-3,6,9,12-13,16-17H2,1H3,(H,26,30)(H,27,29)/t23-/m1/s1
InChIKeyXNKCLAVTQWKNNR-HSZRJFAPSA-N
XLogP4.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 26608344
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 9292636
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-cyclopropyl-2-[[2-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 78830545
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41193840
N-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 17320235

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide (CID 9292689) is N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide is COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide?
The InChIKey is XNKCLAVTQWKNNR-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-31-20-14-10-18(11-15-20)23-9-3-2-6-16-28(23)17-24(29)27-22-8-5-4-7-21(22)25(30)26-19-12-13-19/h4-5,7-8,10-11,14-15,19,23H,2-3,6,9,12-13,16-17H2,1H3,(H,26,30)(H,27,29)/t23-/m1/s1.
What are the key properties of N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide has a molecular weight of 421.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 9292689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).