(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C25H32N2O3 — CID 124840850

IUPAC(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)o1
InChIInChI=1S/C25H32N2O3/c1-11-2-7-17(30-11)16(27-25(29)23-20-14-5-6-15(9-14)21(20)23)10-26-24(28)22-18-12-3-4-13(8-12)19(18)22/h2,7,12-16,18-23H,3-6,8-10H2,1H3,(H,26,28)(H,27,29)/t12-,13-,14-,15-,16-,18-,19+,20-,21+,22?,23?/m0/s1
InChIKeyOKQKQWRGGABPHJ-OYOQYEBBSA-N
MW408.54 g/mol
LogP3.45
Rot. Bonds6

About (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 124840850) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID124840850
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccc([C@H](CNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)o1
InChIInChI=1S/C25H32N2O3/c1-11-2-7-17(30-11)16(27-25(29)23-20-14-5-6-15(9-14)21(20)23)10-26-24(28)22-18-12-3-4-13(8-12)19(18)22/h2,7,12-16,18-23H,3-6,8-10H2,1H3,(H,26,28)(H,27,29)/t12-,13-,14-,15-,16-,18-,19+,20-,21+,22?,23?/m0/s1
InChIKeyOKQKQWRGGABPHJ-OYOQYEBBSA-N
XLogP3.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
CID 97246443
N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103807170
N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103829374
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 557216
3-ethylsulfanyl-N-[(2S)-2-(3-ethylsulfanylpropanoylamino)-2-(5-methylfuran-2-yl)ethyl]propanamide
CID 97058922
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103801537
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119432515
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187782

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 124840850) is (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1ccc([C@H](CNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)o1.
What is the InChIKey of (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is OKQKQWRGGABPHJ-OYOQYEBBSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-11-2-7-17(30-11)16(27-25(29)23-20-14-5-6-15(9-14)21(20)23)10-26-24(28)22-18-12-3-4-13(8-12)19(18)22/h2,7,12-16,18-23H,3-6,8-10H2,1H3,(H,26,28)(H,27,29)/t12-,13-,14-,15-,16-,18-,19+,20-,21+,22?,23?/m0/s1.
What are the key properties of (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 124840850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).