N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide

C23H29N3O3 — CID 11884410

IUPACN-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(CC2CCCCC2)C1)c1ccco1
InChIInChI=1S/C23H29N3O3/c27-22(21-7-4-10-29-21)24-19-8-9-20-18-11-17(14-26(20)23(19)28)13-25(15-18)12-16-5-2-1-3-6-16/h4,7-10,16-18H,1-3,5-6,11-15H2,(H,24,27)/t17-,18+/m0/s1
InChIKeyCBPACPXYXXHIAE-ZWKOTPCHSA-N
MW395.50 g/mol
LogP3.69
Rot. Bonds4

About N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide

N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide (PubChem CID 11884410) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
PubChem CID11884410
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(CC2CCCCC2)C1)c1ccco1
InChIInChI=1S/C23H29N3O3/c27-22(21-7-4-10-29-21)24-19-8-9-20-18-11-17(14-26(20)23(19)28)13-25(15-18)12-16-5-2-1-3-6-16/h4,7-10,16-18H,1-3,5-6,11-15H2,(H,24,27)/t17-,18+/m0/s1
InChIKeyCBPACPXYXXHIAE-ZWKOTPCHSA-N
XLogP3.69
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 7155523
N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
CID 3719823
N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 73134687
N-[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide
CID 4236925
N-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 7142728
N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 78454372
N-[(1R,9S)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
CID 7156288
N-[4-[[11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide
CID 3545172
1-[(1R,9R)-11-(furan-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-phenylurea
CID 163047867
N-[(1R,9R)-11-(cyclohexylmethyl)-6-oxo-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]thiophene-2-carboxamide
CID 11884413
[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
CID 131656186
N-[[(2R,4S,5R)-5-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 163068324

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide (CID 11884410) is N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide is O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(CC2CCCCC2)C1)c1ccco1.
What is the InChIKey of N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?
The InChIKey is CBPACPXYXXHIAE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(21-7-4-10-29-21)24-19-8-9-20-18-11-17(14-26(20)23(19)28)13-25(15-18)12-16-5-2-1-3-6-16/h4,7-10,16-18H,1-3,5-6,11-15H2,(H,24,27)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?
N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,9S)-11-(cyclohexylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide is sourced from PubChem (CID 11884410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).