[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate

C22H24N2O6 — CID 11923061

IUPAC[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O[C@H]2CO[C@H]3[C@H]2OC[C@@H]3OC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O6/c1-13-3-7-15(8-4-13)23-21(25)29-17-11-27-20-18(12-28-19(17)20)30-22(26)24-16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t17-,18-,19-,20+/m0/s1
InChIKeyNAUYWCLHGXINLP-LWYYNNOASA-N
MW412.44 g/mol
LogP3.64
Rot. Bonds4

About [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate

[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate (PubChem CID 11923061) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate
PubChem CID11923061
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O[C@H]2CO[C@H]3[C@H]2OC[C@@H]3OC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O6/c1-13-3-7-15(8-4-13)23-21(25)29-17-11-27-20-18(12-28-19(17)20)30-22(26)24-16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t17-,18-,19-,20+/m0/s1
InChIKeyNAUYWCLHGXINLP-LWYYNNOASA-N
XLogP3.64
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate with MolForge

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Related Compounds

[(3S,3aR,6R,6aS)-3-[(4-methylbenzoyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 11884156
[(3R,3aR,6R,6aR)-6-(4-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzoate
CID 59330491
[(3R,6R)-6-(4-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzoate
CID 118553452
[(3R,3aR,6R,6aR)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 163167399
[(3S,3aR,6R,6aS)-3-[[4-(furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methylphenyl)carbamate
CID 11913065
[(3R,3aR,6R,6aR)-3-[(4-propan-2-ylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-propan-2-ylphenyl)carbamate
CID 162811958
[(3S,3aR,6R,6aS)-3-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methylphenyl)carbamate
CID 11911647
[3-[(3,5-dimethylphenyl)carbamothioylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-phenylcarbamate
CID 74685812
[(3S,3aR,6R,6aS)-3-benzamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 11884146
[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate
CID 163669562
[(3S,3aR,6R,6aS)-3-[(4-methoxybenzoyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 11884147
[(3S,3aR,6R,6aS)-3-[(4-methoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 11884163

Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate?
The IUPAC name of [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate (CID 11923061) is [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate?
The canonical SMILES for [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)O[C@H]2CO[C@H]3[C@H]2OC[C@@H]3OC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate?
The InChIKey is NAUYWCLHGXINLP-LWYYNNOASA-N. The full InChI is InChI=1S/C22H24N2O6/c1-13-3-7-15(8-4-13)23-21(25)29-17-11-27-20-18(12-28-19(17)20)30-22(26)24-16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3,(H,23,25)(H,24,26)/t17-,18-,19-,20+/m0/s1.
What are the key properties of [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate?
[(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate has a molecular weight of 412.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6S,6aS)-6-[(4-methylphenyl)carbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 11923061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).