N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide

C13H23N3O — CID 71377493

IUPACN-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide
SMILESCC(C)(C)N(CC1CCCCC1)C(=O)C=[N+]=[N-]
InChIInChI=1S/C13H23N3O/c1-13(2,3)16(12(17)9-15-14)10-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3
InChIKeyCVBAGMWDZXDGMK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.49
Rot. Bonds3

About N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide

N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide (PubChem CID 71377493) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide.

Molecular Properties

Compound NameN-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide
PubChem CID71377493
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide
SMILESCC(C)(C)N(CC1CCCCC1)C(=O)C=[N+]=[N-]
InChIInChI=1S/C13H23N3O/c1-13(2,3)16(12(17)9-15-14)10-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3
InChIKeyCVBAGMWDZXDGMK-UHFFFAOYSA-N
XLogP2.49
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide?
The IUPAC name of N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide (CID 71377493) is N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide.
What is the SMILES notation for N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide?
The canonical SMILES for N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide is CC(C)(C)N(CC1CCCCC1)C(=O)C=[N+]=[N-].
What is the InChIKey of N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide?
The InChIKey is CVBAGMWDZXDGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)16(12(17)9-15-14)10-11-7-5-4-6-8-11/h9,11H,4-8,10H2,1-3H3.
What are the key properties of N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide?
N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide has a molecular weight of 237.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(cyclohexylmethyl)-2-diazoacetamide is sourced from PubChem (CID 71377493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).