N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide

C20H29N3O — CID 7613699

IUPACN-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide
SMILESCC(=O)NC1([C@H]2CCCC/C2=N/Nc2ccccc2)CCCCC1
InChIInChI=1S/C20H29N3O/c1-16(24)21-20(14-8-3-9-15-20)18-12-6-7-13-19(18)23-22-17-10-4-2-5-11-17/h2,4-5,10-11,18,22H,3,6-9,12-15H2,1H3,(H,21,24)/b23-19-/t18-/m0/s1
InChIKeyMVNWOGDGNANAIL-YBAYSFDISA-N
MW327.47 g/mol
LogP4.48
Rot. Bonds4

About N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide

N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide (PubChem CID 7613699) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide
PubChem CID7613699
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide
SMILESCC(=O)NC1([C@H]2CCCC/C2=N/Nc2ccccc2)CCCCC1
InChIInChI=1S/C20H29N3O/c1-16(24)21-20(14-8-3-9-15-20)18-12-6-7-13-19(18)23-22-17-10-4-2-5-11-17/h2,4-5,10-11,18,22H,3,6-9,12-15H2,1H3,(H,21,24)/b23-19-/t18-/m0/s1
InChIKeyMVNWOGDGNANAIL-YBAYSFDISA-N
XLogP4.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.48
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-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide (CID 7613699) is N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide is CC(=O)NC1([C@H]2CCCC/C2=N/Nc2ccccc2)CCCCC1.
What is the InChIKey of N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide?
The InChIKey is MVNWOGDGNANAIL-YBAYSFDISA-N. The full InChI is InChI=1S/C20H29N3O/c1-16(24)21-20(14-8-3-9-15-20)18-12-6-7-13-19(18)23-22-17-10-4-2-5-11-17/h2,4-5,10-11,18,22H,3,6-9,12-15H2,1H3,(H,21,24)/b23-19-/t18-/m0/s1.
What are the key properties of N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide?
N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide has a molecular weight of 327.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,2Z)-2-(phenylhydrazinylidene)cyclohexyl]cyclohexyl]acetamide is sourced from PubChem (CID 7613699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).