[(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate

C30H27N3O6 — CID 11883999

IUPAC[(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C30H27N3O6/c34-29(31-20-13-15-22(16-14-20)38-21-9-2-1-3-10-21)32-25-17-36-28-26(18-37-27(25)28)39-30(35)33-24-12-6-8-19-7-4-5-11-23(19)24/h1-16,25-28H,17-18H2,(H,33,35)(H2,31,32,34)/t25-,26+,27+,28+/m0/s1
InChIKeyNJVCKZZGHQICRS-KUXCXQDQSA-N
MW525.56 g/mol
LogP5.54
Rot. Bonds6

About [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate

[(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate (PubChem CID 11883999) has the molecular formula C30H27N3O6 and a molecular weight of 525.56 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
PubChem CID11883999
Molecular FormulaC30H27N3O6
Molecular Weight525.56 g/mol
Exact Mass525.19
IUPAC Name[(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C30H27N3O6/c34-29(31-20-13-15-22(16-14-20)38-21-9-2-1-3-10-21)32-25-17-36-28-26(18-37-27(25)28)39-30(35)33-24-12-6-8-19-7-4-5-11-23(19)24/h1-16,25-28H,17-18H2,(H,33,35)(H2,31,32,34)/t25-,26+,27+,28+/m0/s1
InChIKeyNJVCKZZGHQICRS-KUXCXQDQSA-N
XLogP5.54
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
The IUPAC name of [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate (CID 11883999) is [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate is O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
The InChIKey is NJVCKZZGHQICRS-KUXCXQDQSA-N. The full InChI is InChI=1S/C30H27N3O6/c34-29(31-20-13-15-22(16-14-20)38-21-9-2-1-3-10-21)32-25-17-36-28-26(18-37-27(25)28)39-30(35)33-24-12-6-8-19-7-4-5-11-23(19)24/h1-16,25-28H,17-18H2,(H,33,35)(H2,31,32,34)/t25-,26+,27+,28+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate?
[(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate has a molecular weight of 525.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-3-[(4-phenoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 11883999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).