N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide

C18H24N2O5 — CID 90912947

IUPACN-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
SMILESCC(C)CC(NC(=O)c1ccoc1)C(=O)NC12CCCC1OCC2=O
InChIInChI=1S/C18H24N2O5/c1-11(2)8-13(19-16(22)12-5-7-24-9-12)17(23)20-18-6-3-4-15(18)25-10-14(18)21/h5,7,9,11,13,15H,3-4,6,8,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKUGOBKXLHFJPRE-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.43
Rot. Bonds6

About N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide

N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide (PubChem CID 90912947) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
PubChem CID90912947
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
SMILESCC(C)CC(NC(=O)c1ccoc1)C(=O)NC12CCCC1OCC2=O
InChIInChI=1S/C18H24N2O5/c1-11(2)8-13(19-16(22)12-5-7-24-9-12)17(23)20-18-6-3-4-15(18)25-10-14(18)21/h5,7,9,11,13,15H,3-4,6,8,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKUGOBKXLHFJPRE-UHFFFAOYSA-N
XLogP1.43
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]-1-oxido-5-thiophen-2-ylpyridin-1-ium-3-carboxamide
CID 23397482
4-methyl-N-(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)-2-(3-phenylphenyl)pentanamide
CID 23397444
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159916584
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide
CID 22288864
N-[3-(4-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]quinoline-6-carboxamide
CID 90782289
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 166630178
N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]naphthalene-1-carboxamide
CID 90713036
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 10155000
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91596185
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 10202460

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide (CID 90912947) is N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide is CC(C)CC(NC(=O)c1ccoc1)C(=O)NC12CCCC1OCC2=O.
What is the InChIKey of N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide?
The InChIKey is KUGOBKXLHFJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11(2)8-13(19-16(22)12-5-7-24-9-12)17(23)20-18-6-3-4-15(18)25-10-14(18)21/h5,7,9,11,13,15H,3-4,6,8,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide?
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 90912947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).