4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide

C28H32N2O — CID 11668754

IUPAC4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C28H32N2O/c29-20-22-14-16-24(17-15-22)28(31)30-27(18-21-8-3-1-4-9-21)26-13-7-12-25(19-26)23-10-5-2-6-11-23/h1-13,19,22,24,27H,14-18,20,29H2,(H,30,31)
InChIKeyUZJPLAPSOZLDOT-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.52
Rot. Bonds7

About 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 11668754) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID11668754
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC(Cc2ccccc2)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C28H32N2O/c29-20-22-14-16-24(17-15-22)28(31)30-27(18-21-8-3-1-4-9-21)26-13-7-12-25(19-26)23-10-5-2-6-11-23/h1-13,19,22,24,27H,14-18,20,29H2,(H,30,31)
InChIKeyUZJPLAPSOZLDOT-UHFFFAOYSA-N
XLogP5.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide (CID 11668754) is 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NC(Cc2ccccc2)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is UZJPLAPSOZLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c29-20-22-14-16-24(17-15-22)28(31)30-27(18-21-8-3-1-4-9-21)26-13-7-12-25(19-26)23-10-5-2-6-11-23/h1-13,19,22,24,27H,14-18,20,29H2,(H,30,31).
What are the key properties of 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-phenyl-1-(3-phenylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11668754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).