N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide

C20H29N3O3 — CID 39948471

IUPACN-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C20H29N3O3/c1-3-15(2)18(22-19(25)16-9-5-4-6-10-16)20(26)21-12-11-17(24)23-13-7-8-14-23/h4-6,9-10,15,18H,3,7-8,11-14H2,1-2H3,(H,21,26)(H,22,25)/t15-,18+/m0/s1
InChIKeySCCMJYHISLSFQK-MAUKXSAKSA-N
MW359.47 g/mol
LogP1.96
Rot. Bonds8

About N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide

N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide (PubChem CID 39948471) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide
PubChem CID39948471
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C20H29N3O3/c1-3-15(2)18(22-19(25)16-9-5-4-6-10-16)20(26)21-12-11-17(24)23-13-7-8-14-23/h4-6,9-10,15,18H,3,7-8,11-14H2,1-2H3,(H,21,26)(H,22,25)/t15-,18+/m0/s1
InChIKeySCCMJYHISLSFQK-MAUKXSAKSA-N
XLogP1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide with MolForge

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Related Compounds

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N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
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N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide (CID 39948471) is N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide?
The InChIKey is SCCMJYHISLSFQK-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-15(2)18(22-19(25)16-9-5-4-6-10-16)20(26)21-12-11-17(24)23-13-7-8-14-23/h4-6,9-10,15,18H,3,7-8,11-14H2,1-2H3,(H,21,26)(H,22,25)/t15-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide?
N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-methyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pentan-2-yl]benzamide is sourced from PubChem (CID 39948471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).