N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide

C28H50N2O2 — CID 76966489

IUPACN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC1.CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CC1
InChIInChI=1S/2C14H25NO/c2*1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h2*9-13H,4-8H2,1-3H3,(H,15,16)/t2*10-,12+,13+/m10/s1
InChIKeySHUMUELPNNXYIT-ICLCSDOHSA-N
MW446.72 g/mol
LogP5.95
Rot. Bonds6

About N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide

N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide (PubChem CID 76966489) has the molecular formula C28H50N2O2 and a molecular weight of 446.72 g/mol. Its IUPAC name is N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
PubChem CID76966489
Molecular FormulaC28H50N2O2
Molecular Weight446.72 g/mol
Exact Mass446.39
IUPAC NameN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC1.CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CC1
InChIInChI=1S/2C14H25NO/c2*1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h2*9-13H,4-8H2,1-3H3,(H,15,16)/t2*10-,12+,13+/m10/s1
InChIKeySHUMUELPNNXYIT-ICLCSDOHSA-N
XLogP5.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide (CID 76966489) is N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CC1.CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
The InChIKey is SHUMUELPNNXYIT-ICLCSDOHSA-N. The full InChI is InChI=1S/2C14H25NO/c2*1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h2*9-13H,4-8H2,1-3H3,(H,15,16)/t2*10-,12+,13+/m10/s1.
What are the key properties of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide?
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide has a molecular weight of 446.72 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide;N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 76966489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).