N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide

C13H23N3O3 — CID 108503782

IUPACN'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide
SMILESCN(C(=O)C(=O)N(C=O)CCCN)C1CCCCC1
InChIInChI=1S/C13H23N3O3/c1-15(11-6-3-2-4-7-11)12(18)13(19)16(10-17)9-5-8-14/h10-11H,2-9,14H2,1H3
InChIKeyVVYWVEMPCQYRHU-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.11
Rot. Bonds5

About N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide

N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide (PubChem CID 108503782) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide
PubChem CID108503782
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide
SMILESCN(C(=O)C(=O)N(C=O)CCCN)C1CCCCC1
InChIInChI=1S/C13H23N3O3/c1-15(11-6-3-2-4-7-11)12(18)13(19)16(10-17)9-5-8-14/h10-11H,2-9,14H2,1H3
InChIKeyVVYWVEMPCQYRHU-UHFFFAOYSA-N
XLogP0.11
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide?
The IUPAC name of N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide (CID 108503782) is N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide?
The canonical SMILES for N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide is CN(C(=O)C(=O)N(C=O)CCCN)C1CCCCC1.
What is the InChIKey of N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide?
The InChIKey is VVYWVEMPCQYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15(11-6-3-2-4-7-11)12(18)13(19)16(10-17)9-5-8-14/h10-11H,2-9,14H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide?
N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide has a molecular weight of 269.34 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N-cyclohexyl-N'-formyl-N-methyloxamide is sourced from PubChem (CID 108503782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).