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

C12H19N3O5 — CID 176793008

IUPACN-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide
SMILESCCCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C12H19N3O5/c1-2-3-15(11(17)13-4-9-6-19-9)12(18)14(8-16)5-10-7-20-10/h8-10H,2-7H2,1H3,(H,13,17)
InChIKeyRENPZSOYJYGHFD-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.22
Rot. Bonds7

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

N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide (PubChem CID 176793008) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide
PubChem CID176793008
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide
SMILESCCCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C12H19N3O5/c1-2-3-15(11(17)13-4-9-6-19-9)12(18)14(8-16)5-10-7-20-10/h8-10H,2-7H2,1H3,(H,13,17)
InChIKeyRENPZSOYJYGHFD-UHFFFAOYSA-N
XLogP-0.22
TPSA94.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.22
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
1,3-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-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide (CID 176793008) is N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide is CCCN(C(=O)NCC1CO1)C(=O)N(C=O)CC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide?
The InChIKey is RENPZSOYJYGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-2-3-15(11(17)13-4-9-6-19-9)12(18)14(8-16)5-10-7-20-10/h8-10H,2-7H2,1H3,(H,13,17).
What are the key properties of N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide?
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide has a molecular weight of 285.30 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide is sourced from PubChem (CID 176793008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).