N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide

C21H25N3O — CID 1479790

IUPACN-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide
SMILESO=C(CNC1CCCCC1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O/c25-20(16-22-19-14-8-3-9-15-19)23-24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,22H,3,8-9,14-16H2,(H,23,25)
InChIKeyJNVNFUUDDVRMCA-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.48
Rot. Bonds6

About N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide

N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide (PubChem CID 1479790) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide
PubChem CID1479790
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide
SMILESO=C(CNC1CCCCC1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O/c25-20(16-22-19-14-8-3-9-15-19)23-24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,22H,3,8-9,14-16H2,(H,23,25)
InChIKeyJNVNFUUDDVRMCA-UHFFFAOYSA-N
XLogP3.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide (CID 1479790) is N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide is O=C(CNC1CCCCC1)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide?
The InChIKey is JNVNFUUDDVRMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(16-22-19-14-8-3-9-15-19)23-24-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,22H,3,8-9,14-16H2,(H,23,25).
What are the key properties of N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide?
N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 1479790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).