1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide

C23H24N4O — CID 54769914

IUPAC1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESN#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCCCC3)cc2)cc1
InChIInChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1
InChIKeyMGOYHCLHZFUGJC-NRFANRHFSA-N
MW372.47 g/mol
LogP3.44
Rot. Bonds5

About 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide

1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 54769914) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
PubChem CID54769914
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESN#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCCCC3)cc2)cc1
InChIInChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1
InChIKeyMGOYHCLHZFUGJC-NRFANRHFSA-N
XLogP3.44
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide (CID 54769914) is 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide is N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCCCC3)cc2)cc1.
What is the InChIKey of 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is MGOYHCLHZFUGJC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1.
What are the key properties of 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 54769914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).