N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide

C21H32N4O2 — CID 50965827

IUPACN-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1)NC1CCCCCCC1
InChIInChI=1S/C21H32N4O2/c26-20-9-8-19(24-20)15-25(14-17-10-12-22-13-11-17)16-21(27)23-18-6-4-2-1-3-5-7-18/h10-13,18-19H,1-9,14-16H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyUMJMPTXPLMZKLV-IBGZPJMESA-N
MW372.51 g/mol
LogP2.39
Rot. Bonds7

About N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide

N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 50965827) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
PubChem CID50965827
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1)NC1CCCCCCC1
InChIInChI=1S/C21H32N4O2/c26-20-9-8-19(24-20)15-25(14-17-10-12-22-13-11-17)16-21(27)23-18-6-4-2-1-3-5-7-18/h10-13,18-19H,1-9,14-16H2,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyUMJMPTXPLMZKLV-IBGZPJMESA-N
XLogP2.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 74247243
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
(5S)-5-[[[benzyl(methyl)sulfamoyl]-(pyridin-4-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925449
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 50980890
N-cyclohexyl-2-pyridazin-4-ylacetamide
CID 166816076
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 91839800

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide (CID 50965827) is N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide is O=C(CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is UMJMPTXPLMZKLV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N4O2/c26-20-9-8-19(24-20)15-25(14-17-10-12-22-13-11-17)16-21(27)23-18-6-4-2-1-3-5-7-18/h10-13,18-19H,1-9,14-16H2,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide?
N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 50965827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).