(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H28N2O2 — CID 98123961

IUPAC(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C18H28N2O2/c21-17(15-9-11-1-3-13(15)7-11)19-5-6-20-18(22)16-10-12-2-4-14(16)8-12/h11-16H,1-10H2,(H,19,21)(H,20,22)/t11-,12-,13-,14-,15-,16+/m1/s1
InChIKeyQQLOJIMQTXJLTF-SJJUBHFPSA-N
MW304.43 g/mol
LogP2.09
Rot. Bonds5

About (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98123961) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98123961
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C18H28N2O2/c21-17(15-9-11-1-3-13(15)7-11)19-5-6-20-18(22)16-10-12-2-4-14(16)8-12/h11-16H,1-10H2,(H,19,21)(H,20,22)/t11-,12-,13-,14-,15-,16+/m1/s1
InChIKeyQQLOJIMQTXJLTF-SJJUBHFPSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
(1S,2R,4S)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124733009

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98123961) is (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QQLOJIMQTXJLTF-SJJUBHFPSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-17(15-9-11-1-3-13(15)7-11)19-5-6-20-18(22)16-10-12-2-4-14(16)8-12/h11-16H,1-10H2,(H,19,21)(H,20,22)/t11-,12-,13-,14-,15-,16+/m1/s1.
What are the key properties of (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98123961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).