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

C19H30N2O2 — CID 4244440

IUPACN-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(CNC(=O)C1CC2CCC1C2)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C19H30N2O2/c1-11(21-19(23)17-9-13-3-5-15(17)7-13)10-20-18(22)16-8-12-2-4-14(16)6-12/h11-17H,2-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUMNQINGXHFJCPM-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.48
Rot. Bonds5

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

N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 4244440) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID4244440
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(CNC(=O)C1CC2CCC1C2)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C19H30N2O2/c1-11(21-19(23)17-9-13-3-5-15(17)7-13)10-20-18(22)16-8-12-2-4-14(16)6-12/h11-17H,2-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUMNQINGXHFJCPM-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 4244440) is N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(CNC(=O)C1CC2CCC1C2)NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UMNQINGXHFJCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-11(21-19(23)17-9-13-3-5-15(17)7-13)10-20-18(22)16-8-12-2-4-14(16)6-12/h11-17H,2-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 4244440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).