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

C11H17N3O5 — CID 176793012

IUPACN-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESCCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C11H17N3O5/c1-2-14(10(16)12-3-8-5-18-8)11(17)13(7-15)4-9-6-19-9/h7-9H,2-6H2,1H3,(H,12,16)
InChIKeyXKVNHXWJFOIDMO-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.61
Rot. Bonds6

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

N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (PubChem CID 176793012) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
PubChem CID176793012
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC NameN-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESCCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C11H17N3O5/c1-2-14(10(16)12-3-8-5-18-8)11(17)13(7-15)4-9-6-19-9/h7-9H,2-6H2,1H3,(H,12,16)
InChIKeyXKVNHXWJFOIDMO-UHFFFAOYSA-N
XLogP-0.61
TPSA94.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[ethyl(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-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The IUPAC name of N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (CID 176793012) is N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.
What is the SMILES notation for N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The canonical SMILES for N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is CCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1.
What is the InChIKey of N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The InChIKey is XKVNHXWJFOIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-14(10(16)12-3-8-5-18-8)11(17)13(7-15)4-9-6-19-9/h7-9H,2-6H2,1H3,(H,12,16).
What are the key properties of N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide has a molecular weight of 271.27 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is sourced from PubChem (CID 176793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).