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

C10H15N3O5 — CID 164762984

IUPACN-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C10H15N3O5/c1-12(9(15)11-2-7-4-17-7)10(16)13(6-14)3-8-5-18-8/h6-8H,2-5H2,1H3,(H,11,15)
InChIKeyQXOUUVCSHCMTPW-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.00
Rot. Bonds5

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

N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (PubChem CID 164762984) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
PubChem CID164762984
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C10H15N3O5/c1-12(9(15)11-2-7-4-17-7)10(16)13(6-14)3-8-5-18-8/h6-8H,2-5H2,1H3,(H,11,15)
InChIKeyQXOUUVCSHCMTPW-UHFFFAOYSA-N
XLogP-1.00
TPSA94.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.00
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'}

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Related Compounds

1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061
1-Ethyl-3-(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 19347708
1-(Oxiran-2-ylmethyl)-3-propyl-1,3,5-triazinane-2,4,6-trione
CID 19347712
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
1,3-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
1-(Hydroxymethyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 89219969
N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 89365436

Frequently Asked Questions

What is the IUPAC name of N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The IUPAC name of N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (CID 164762984) is N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.
What is the SMILES notation for N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The canonical SMILES for N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is CN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1.
What is the InChIKey of N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The InChIKey is QXOUUVCSHCMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-12(9(15)11-2-7-4-17-7)10(16)13(6-14)3-8-5-18-8/h6-8H,2-5H2,1H3,(H,11,15).
What are the key properties of N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide has a molecular weight of 257.25 g/mol, XLogP of -1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is sourced from PubChem (CID 164762984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).