(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide

C28H32N2O2 — CID 6968106

IUPAC(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C28H32N2O2/c31-27(25-21-5-1-2-6-22(21)25)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-28(32)26-23-7-3-4-8-24(23)26/h9-16,21-26H,1-8H2,(H,29,31)(H,30,32)/t21-,22-,23+,24+
InChIKeyLBIJPBFILQNBGT-SWIJEOLNSA-N
MW428.58 g/mol
LogP6.10
Rot. Bonds5

About (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide

(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 6968106) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID6968106
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12
InChIInChI=1S/C28H32N2O2/c31-27(25-21-5-1-2-6-22(21)25)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-28(32)26-23-7-3-4-8-24(23)26/h9-16,21-26H,1-8H2,(H,29,31)(H,30,32)/t21-,22-,23+,24+
InChIKeyLBIJPBFILQNBGT-SWIJEOLNSA-N
XLogP6.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600560
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106912187
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81479241
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
(1R,4Z,8E,12R)-N-(4-iodophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11891872
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 120566495

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 6968106) is (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccc(-c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12.
What is the InChIKey of (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is LBIJPBFILQNBGT-SWIJEOLNSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-27(25-21-5-1-2-6-22(21)25)29-19-13-9-17(10-14-19)18-11-15-20(16-12-18)30-28(32)26-23-7-3-4-8-24(23)26/h9-16,21-26H,1-8H2,(H,29,31)(H,30,32)/t21-,22-,23+,24+.
What are the key properties of (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 6968106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).