4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide

C21H34N2O4 — CID 70968787

IUPAC4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2COC3C(NC(=O)C4CC4)COC23)CC1
InChIInChI=1S/C21H34N2O4/c1-21(2,3)14-8-6-13(7-9-14)20(25)23-16-11-27-17-15(10-26-18(16)17)22-19(24)12-4-5-12/h12-18H,4-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLQVJWEBWEGYRMB-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.02
Rot. Bonds4

About 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide

4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide (PubChem CID 70968787) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
PubChem CID70968787
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2COC3C(NC(=O)C4CC4)COC23)CC1
InChIInChI=1S/C21H34N2O4/c1-21(2,3)14-8-6-13(7-9-14)20(25)23-16-11-27-17-15(10-26-18(16)17)22-19(24)12-4-5-12/h12-18H,4-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLQVJWEBWEGYRMB-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide (CID 70968787) is 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NC2COC3C(NC(=O)C4CC4)COC23)CC1.
What is the InChIKey of 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide?
The InChIKey is LQVJWEBWEGYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-21(2,3)14-8-6-13(7-9-14)20(25)23-16-11-27-17-15(10-26-18(16)17)22-19(24)12-4-5-12/h12-18H,4-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide has a molecular weight of 378.51 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70968787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).