N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide

C11H17N3O6 — CID 176793010

IUPACN-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESCOCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C11H17N3O6/c1-18-7-14(10(16)12-2-8-4-19-8)11(17)13(6-15)3-9-5-20-9/h6,8-9H,2-5,7H2,1H3,(H,12,16)
InChIKeyOEABQAIGPYJBTB-UHFFFAOYSA-N
MW287.27 g/mol
LogP-1.02
Rot. Bonds7

About N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide

N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (PubChem CID 176793010) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
PubChem CID176793010
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC NameN-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESCOCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C11H17N3O6/c1-18-7-14(10(16)12-2-8-4-19-8)11(17)13(6-15)3-9-5-20-9/h6,8-9H,2-5,7H2,1H3,(H,12,16)
InChIKeyOEABQAIGPYJBTB-UHFFFAOYSA-N
XLogP-1.02
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)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

Related Compounds

1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061
1,3-Bis(oxiran-2-ylmethyl)urea
CID 20331550
1,3-Bis[(3-methyloxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 20512028
1,3-Bis[(oxiran-2-yl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 23496527
2-Ethyloxirane;1-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 87281824
1-(Oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;2-propyloxirane
CID 87374363
1,3-Bis(oxiran-2-ylmethyl)-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 88324956
Carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane
CID 88692153
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 89020626
N-(2-methyloxiran-2-yl)-N-[(2-methyloxiran-2-yl)-[(2-methyloxiran-2-yl)carbamoyl]carbamoyl]formamide
CID 89147873
1-(Hydroxymethyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 89219969
1-(2-Methoxypropyl)-1-(oxiran-2-ylmethylcarbamoyl)-3-(3-sulfanylpropyl)urea
CID 89308090

Frequently Asked Questions

What is the IUPAC name of N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The IUPAC name of N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (CID 176793010) is N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.
What is the SMILES notation for N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The canonical SMILES for N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is COCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1.
What is the InChIKey of N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The InChIKey is OEABQAIGPYJBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-18-7-14(10(16)12-2-8-4-19-8)11(17)13(6-15)3-9-5-20-9/h6,8-9H,2-5,7H2,1H3,(H,12,16).
What are the key properties of N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide has a molecular weight of 287.27 g/mol, XLogP of -1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is sourced from PubChem (CID 176793010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).