N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide

C27H29N3O3 — CID 26608344

IUPACN-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-22-15-13-21(14-16-22)25-12-7-17-30(25)19-26(31)29-24-11-6-5-10-23(24)27(32)28-18-20-8-3-2-4-9-20/h2-6,8-11,13-16,25H,7,12,17-19H2,1H3,(H,28,32)(H,29,31)/t25-/m0/s1
InChIKeyUGGMDVUBGBRMPV-VWLOTQADSA-N
MW443.55 g/mol
LogP4.40
Rot. Bonds8

About N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide (PubChem CID 26608344) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
PubChem CID26608344
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-22-15-13-21(14-16-22)25-12-7-17-30(25)19-26(31)29-24-11-6-5-10-23(24)27(32)28-18-20-8-3-2-4-9-20/h2-6,8-11,13-16,25H,7,12,17-19H2,1H3,(H,28,32)(H,29,31)/t25-/m0/s1
InChIKeyUGGMDVUBGBRMPV-VWLOTQADSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
CID 9292689
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 8835199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide (CID 26608344) is N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide is COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is UGGMDVUBGBRMPV-VWLOTQADSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-22-15-13-21(14-16-22)25-12-7-17-30(25)19-26(31)29-24-11-6-5-10-23(24)27(32)28-18-20-8-3-2-4-9-20/h2-6,8-11,13-16,25H,7,12,17-19H2,1H3,(H,28,32)(H,29,31)/t25-/m0/s1.
What are the key properties of N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 26608344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).