N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide

C14H22N4O6 — CID 170368814

IUPACN-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESNN(CCCC1CO1)C(=O)N(CC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C14H22N4O6/c15-18(3-1-2-10-6-22-10)14(21)17(5-12-8-24-12)13(20)16(9-19)4-11-7-23-11/h9-12H,1-8,15H2
InChIKeyORPFOKLXEYLBJJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP-0.86
Rot. Bonds9

About N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide

N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (PubChem CID 170368814) has the molecular formula C14H22N4O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
PubChem CID170368814
Molecular FormulaC14H22N4O6
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC NameN-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESNN(CCCC1CO1)C(=O)N(CC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C14H22N4O6/c15-18(3-1-2-10-6-22-10)14(21)17(5-12-8-24-12)13(20)16(9-19)4-11-7-23-11/h9-12H,1-8,15H2
InChIKeyORPFOKLXEYLBJJ-UHFFFAOYSA-N
XLogP-0.86
TPSA124.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The IUPAC name of N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (CID 170368814) is N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.
What is the SMILES notation for N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The canonical SMILES for N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is NN(CCCC1CO1)C(=O)N(CC1CO1)C(=O)N(C=O)CC1CO1.
What is the InChIKey of N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The InChIKey is ORPFOKLXEYLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O6/c15-18(3-1-2-10-6-22-10)14(21)17(5-12-8-24-12)13(20)16(9-19)4-11-7-23-11/h9-12H,1-8,15H2.
What are the key properties of N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide has a molecular weight of 342.35 g/mol, XLogP of -0.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is sourced from PubChem (CID 170368814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).