N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide

C20H24N2O — CID 71466514

IUPACN-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide
SMILESCc1ccccc1-c1ccc(N)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H24N2O/c1-14-7-5-6-10-17(14)16-11-12-18(21)19(13-16)22-20(23)15-8-3-2-4-9-15/h5-7,10-13,15H,2-4,8-9,21H2,1H3,(H,22,23)
InChIKeyMQHXNOZZLZKPGP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.76
Rot. Bonds3

About N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide

N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide (PubChem CID 71466514) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide
PubChem CID71466514
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide
SMILESCc1ccccc1-c1ccc(N)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H24N2O/c1-14-7-5-6-10-17(14)16-11-12-18(21)19(13-16)22-20(23)15-8-3-2-4-9-15/h5-7,10-13,15H,2-4,8-9,21H2,1H3,(H,22,23)
InChIKeyMQHXNOZZLZKPGP-UHFFFAOYSA-N
XLogP4.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 11942
CID 11942
CID 228389
CID 228389
CID 26873419
CID 26873419
CID 28996
CID 28996
CID 532827
CID 532827
CID 590400
CID 590400
CID 44467796
CID 44467796
CID 67096018
CID 67096018
CID 252606
CID 252606
CID 668813
CID 668813
CID 11955788
CID 11955788
CID 25032059
CID 25032059

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide (CID 71466514) is N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide is Cc1ccccc1-c1ccc(N)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide?
The InChIKey is MQHXNOZZLZKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-7-5-6-10-17(14)16-11-12-18(21)19(13-16)22-20(23)15-8-3-2-4-9-15/h5-7,10-13,15H,2-4,8-9,21H2,1H3,(H,22,23).
What are the key properties of N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide?
N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(2-methylphenyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 71466514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).