N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

C22H32N2O4 — CID 170512389

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)NCC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H32N2O4/c1-14(2)8-9-18-10-15(3)20(22(27)28-18)21(26)23-12-16-11-19(25)24(13-16)17-6-4-5-7-17/h10,14,16-17H,4-9,11-13H2,1-3H3,(H,23,26)
InChIKeyAJTOVLGPGAEEPL-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.06
Rot. Bonds7

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (PubChem CID 170512389) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
PubChem CID170512389
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCc1cc(CCC(C)C)oc(=O)c1C(=O)NCC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C22H32N2O4/c1-14(2)8-9-18-10-15(3)20(22(27)28-18)21(26)23-12-16-11-19(25)24(13-16)17-6-4-5-7-17/h10,14,16-17H,4-9,11-13H2,1-3H3,(H,23,26)
InChIKeyAJTOVLGPGAEEPL-UHFFFAOYSA-N
XLogP3.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
CID 170512843
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
1-[3-[[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]amino]propyl]piperidine-3-carboxamide
CID 170510655
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
3-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 170502797
methyl 1-[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]azetidine-3-carboxylate
CID 171387225
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 75500633
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 95550589
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 172880485

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (CID 170512389) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is Cc1cc(CCC(C)C)oc(=O)c1C(=O)NCC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The InChIKey is AJTOVLGPGAEEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-14(2)8-9-18-10-15(3)20(22(27)28-18)21(26)23-12-16-11-19(25)24(13-16)17-6-4-5-7-17/h10,14,16-17H,4-9,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170512389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).