N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide

C26H34N4O2 — CID 56542180

IUPACN-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN1CCCC1CN1CCCC1)c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-20(21-10-3-2-4-11-21)27-26(32)23-13-5-6-14-24(23)28-25(31)19-30-17-9-12-22(30)18-29-15-7-8-16-29/h2-6,10-11,13-14,20,22H,7-9,12,15-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyPRAWVTKGGPGBBZ-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.68
Rot. Bonds8

About N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide

N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide (PubChem CID 56542180) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
PubChem CID56542180
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)CN1CCCC1CN1CCCC1)c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-20(21-10-3-2-4-11-21)27-26(32)23-13-5-6-14-24(23)28-25(31)19-30-17-9-12-22(30)18-29-15-7-8-16-29/h2-6,10-11,13-14,20,22H,7-9,12,15-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyPRAWVTKGGPGBBZ-UHFFFAOYSA-N
XLogP3.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530563
1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530568
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 51724685
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
2-[[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 55412348
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide (CID 56542180) is N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide is CC(NC(=O)c1ccccc1NC(=O)CN1CCCC1CN1CCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is PRAWVTKGGPGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-20(21-10-3-2-4-11-21)27-26(32)23-13-5-6-14-24(23)28-25(31)19-30-17-9-12-22(30)18-29-15-7-8-16-29/h2-6,10-11,13-14,20,22H,7-9,12,15-19H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide?
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 434.58 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 56542180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).