N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

C24H31N3O6 — CID 25412922

IUPACN-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC1CCCCC1)C(=O)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1
InChIInChI=1S/C24H31N3O6/c28-22(25-15-18-9-4-12-31-18)21(20-11-6-14-33-20)27(16-19-10-5-13-32-19)24(30)23(29)26-17-7-2-1-3-8-17/h4,6,9,11-12,14,17,19,21H,1-3,5,7-8,10,13,15-16H2,(H,25,28)(H,26,29)/t19-,21+/m1/s1
InChIKeyYORKSPJQSWYEEG-CTNGQTDRSA-N
MW457.53 g/mol
LogP2.69
Rot. Bonds8

About N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 25412922) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID25412922
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC NameN-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC1CCCCC1)C(=O)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1
InChIInChI=1S/C24H31N3O6/c28-22(25-15-18-9-4-12-31-18)21(20-11-6-14-33-20)27(16-19-10-5-13-32-19)24(30)23(29)26-17-7-2-1-3-8-17/h4,6,9,11-12,14,17,19,21H,1-3,5,7-8,10,13,15-16H2,(H,25,28)(H,26,29)/t19-,21+/m1/s1
InChIKeyYORKSPJQSWYEEG-CTNGQTDRSA-N
XLogP2.69
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220018
N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220019
N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
CID 25412581
N-cyclohexyl-N'-[1-(2-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220020
N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
CID 25412970
N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 652338
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
(2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 1144364
3-cyclohexyl-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40596895
N-cyclohexyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
CID 3174893
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
CID 7406773
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 25412922) is N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is O=C(NC1CCCCC1)C(=O)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccco1)c1ccco1.
What is the InChIKey of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is YORKSPJQSWYEEG-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H31N3O6/c28-22(25-15-18-9-4-12-31-18)21(20-11-6-14-33-20)27(16-19-10-5-13-32-19)24(30)23(29)26-17-7-2-1-3-8-17/h4,6,9,11-12,14,17,19,21H,1-3,5,7-8,10,13,15-16H2,(H,25,28)(H,26,29)/t19-,21+/m1/s1.
What are the key properties of N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 457.53 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 25412922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).