1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C28H40N2O2 — CID 171577098

IUPAC1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(C(=O)Nc1ccc(NC(=O)C3CC4CCC3(C)C4(C)C)cc1)C2
InChIInChI=1S/C28H40N2O2/c1-25(2)17-11-13-27(25,5)21(15-17)23(31)29-19-7-9-20(10-8-19)30-24(32)22-16-18-12-14-28(22,6)26(18,3)4/h7-10,17-18,21-22H,11-16H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyITDLTHAXDNRQJI-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.49
Rot. Bonds4

About 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 171577098) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID171577098
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)C2CCC1(C)C(C(=O)Nc1ccc(NC(=O)C3CC4CCC3(C)C4(C)C)cc1)C2
InChIInChI=1S/C28H40N2O2/c1-25(2)17-11-13-27(25,5)21(15-17)23(31)29-19-7-9-20(10-8-19)30-24(32)22-16-18-12-14-28(22,6)26(18,3)4/h7-10,17-18,21-22H,11-16H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyITDLTHAXDNRQJI-UHFFFAOYSA-N
XLogP6.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 171577098) is 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CC1(C)C2CCC1(C)C(C(=O)Nc1ccc(NC(=O)C3CC4CCC3(C)C4(C)C)cc1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ITDLTHAXDNRQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-25(2)17-11-13-27(25,5)21(15-17)23(31)29-19-7-9-20(10-8-19)30-24(32)22-16-18-12-14-28(22,6)26(18,3)4/h7-10,17-18,21-22H,11-16H2,1-6H3,(H,29,31)(H,30,32).
What are the key properties of 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 436.64 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[4-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 171577098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).