(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C26H42N2O2 — CID 98289118

IUPAC(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1
InChIInChI=1S/C26H42N2O2/c1-25(2)12-20(28-24(30)22-11-17-5-7-19(22)9-17)13-26(3,14-25)15-27-23(29)21-10-16-4-6-18(21)8-16/h16-22H,4-15H2,1-3H3,(H,27,29)(H,28,30)/t16-,17-,18-,19-,20+,21-,22-,26+/m1/s1
InChIKeyBCUCJWQATQBQSA-RYAKVMGWSA-N
MW414.63 g/mol
LogP4.68
Rot. Bonds5

About (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98289118) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98289118
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Name(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1
InChIInChI=1S/C26H42N2O2/c1-25(2)12-20(28-24(30)22-11-17-5-7-19(22)9-17)13-26(3,14-25)15-27-23(29)21-10-16-4-6-18(21)8-16/h16-22H,4-15H2,1-3H3,(H,27,29)(H,28,30)/t16-,17-,18-,19-,20+,21-,22-,26+/m1/s1
InChIKeyBCUCJWQATQBQSA-RYAKVMGWSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-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

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 65119503
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
(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
(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-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64867434
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 144769247
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98289118) is (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1.
What is the InChIKey of (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BCUCJWQATQBQSA-RYAKVMGWSA-N. The full InChI is InChI=1S/C26H42N2O2/c1-25(2)12-20(28-24(30)22-11-17-5-7-19(22)9-17)13-26(3,14-25)15-27-23(29)21-10-16-4-6-18(21)8-16/h16-22H,4-15H2,1-3H3,(H,27,29)(H,28,30)/t16-,17-,18-,19-,20+,21-,22-,26+/m1/s1.
What are the key properties of (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 414.63 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98289118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).