N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide

C18H24N2O3 — CID 124734053

IUPACN-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C18H24N2O3/c1-10(19-18(22)11-5-6-23-9-11)17(21)20-16-8-12-7-15(16)14-4-2-3-13(12)14/h5-6,9-10,12-16H,2-4,7-8H2,1H3,(H,19,22)(H,20,21)/t10-,12+,13+,14-,15-,16+/m0/s1
InChIKeyLVQIAQOMBJLWTO-GGLKYNNCSA-N
MW316.40 g/mol
LogP2.34
Rot. Bonds4

About N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide

N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide (PubChem CID 124734053) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
PubChem CID124734053
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C18H24N2O3/c1-10(19-18(22)11-5-6-23-9-11)17(21)20-16-8-12-7-15(16)14-4-2-3-13(12)14/h5-6,9-10,12-16H,2-4,7-8H2,1H3,(H,19,22)(H,20,21)/t10-,12+,13+,14-,15-,16+/m0/s1
InChIKeyLVQIAQOMBJLWTO-GGLKYNNCSA-N
XLogP2.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120557066
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 136512280
N-[(2S)-1-[[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000557
N-[(2S)-1-[[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 97000559
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide (CID 124734053) is N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21.
What is the InChIKey of N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide?
The InChIKey is LVQIAQOMBJLWTO-GGLKYNNCSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10(19-18(22)11-5-6-23-9-11)17(21)20-16-8-12-7-15(16)14-4-2-3-13(12)14/h5-6,9-10,12-16H,2-4,7-8H2,1H3,(H,19,22)(H,20,21)/t10-,12+,13+,14-,15-,16+/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 124734053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).