N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide

C22H34N2O2 — CID 4622224

IUPACN-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)C2CC3CCC2C3)CC1)C1CC2CCC1C2
InChIInChI=1S/C22H34N2O2/c25-21(19-11-13-1-3-15(19)9-13)23-17-5-7-18(8-6-17)24-22(26)20-12-14-2-4-16(20)10-14/h13-20H,1-12H2,(H,23,25)(H,24,26)
InChIKeyJNBRQYYPYRTHIH-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 4622224) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID4622224
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)C2CC3CCC2C3)CC1)C1CC2CCC1C2
InChIInChI=1S/C22H34N2O2/c25-21(19-11-13-1-3-15(19)9-13)23-17-5-7-18(8-6-17)24-22(26)20-12-14-2-4-16(20)10-14/h13-20H,1-12H2,(H,23,25)(H,24,26)
InChIKeyJNBRQYYPYRTHIH-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 4622224) is N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1CCC(NC(=O)C2CC3CCC2C3)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JNBRQYYPYRTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c25-21(19-11-13-1-3-15(19)9-13)23-17-5-7-18(8-6-17)24-22(26)20-12-14-2-4-16(20)10-14/h13-20H,1-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 4622224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).