N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide

C26H33N3O3 — CID 46615258

IUPACN-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCCOc1ccc(C2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C26H33N3O3/c1-2-32-21-15-13-19(14-16-21)24-12-7-17-29(24)18-25(30)28-23-11-6-5-10-22(23)26(31)27-20-8-3-4-9-20/h5-6,10-11,13-16,20,24H,2-4,7-9,12,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyVPTQKDATFFUKFG-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.53
Rot. Bonds8

About N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide (PubChem CID 46615258) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
PubChem CID46615258
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCCOc1ccc(C2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C26H33N3O3/c1-2-32-21-15-13-19(14-16-21)24-12-7-17-29(24)18-25(30)28-23-11-6-5-10-22(23)26(31)27-20-8-3-4-9-20/h5-6,10-11,13-16,20,24H,2-4,7-9,12,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyVPTQKDATFFUKFG-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9166376
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
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N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
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N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
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2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
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N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide (CID 46615258) is N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide is CCOc1ccc(C2CCCN2CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is VPTQKDATFFUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-2-32-21-15-13-19(14-16-21)24-12-7-17-29(24)18-25(30)28-23-11-6-5-10-22(23)26(31)27-20-8-3-4-9-20/h5-6,10-11,13-16,20,24H,2-4,7-9,12,17-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 46615258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).