N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide

C15H25N3O7 — CID 144687909

IUPACN-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide
SMILESCCOCC(O)CN(C=O)C(=O)N(CC1CO1)C(=O)N(C)CC1CO1
InChIInChI=1S/C15H25N3O7/c1-3-23-7-11(20)4-17(10-19)15(22)18(6-13-9-25-13)14(21)16(2)5-12-8-24-12/h10-13,20H,3-9H2,1-2H3
InChIKeyWALHABVTMVSKKO-UHFFFAOYSA-N
MW359.38 g/mol
LogP-0.89
Rot. Bonds10

About N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide

N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide (PubChem CID 144687909) has the molecular formula C15H25N3O7 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide
PubChem CID144687909
Molecular FormulaC15H25N3O7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC NameN-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide
SMILESCCOCC(O)CN(C=O)C(=O)N(CC1CO1)C(=O)N(C)CC1CO1
InChIInChI=1S/C15H25N3O7/c1-3-23-7-11(20)4-17(10-19)15(22)18(6-13-9-25-13)14(21)16(2)5-12-8-24-12/h10-13,20H,3-9H2,1-2H3
InChIKeyWALHABVTMVSKKO-UHFFFAOYSA-N
XLogP-0.89
TPSA115.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide with MolForge

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Related Compounds

1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 155289327
1-[(2R)-2-hydroxypropyl]-3-[[(2R)-oxiran-2-yl]methyl]-5-[[(2S)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 155289328
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2,3-dihydroxypropyl)-3,5-bis(oxiranylmethyl)-
CID 13146104
1-(2-Hydroxy-3-propoxypropyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 20495788
[3-[3,5-Bis(oxiran-2-ylmethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl] acetate
CID 58788738
1,1-Bis(2-hydroxypropyl)-3,3-bis(oxiran-2-ylmethyl)urea
CID 88544379
4-(2-Hydroxy-3-propoxypropyl)-1,2-bis(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 88623788
6-Hydroxy-1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4-dione
CID 88914724
1-(2-Hydroxypropyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 89616957
1-(3-Ethoxy-2-hydroxypropyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 118584200
N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 137518056
N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 139352309

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide?
The IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide (CID 144687909) is N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide.
What is the SMILES notation for N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide?
The canonical SMILES for N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide is CCOCC(O)CN(C=O)C(=O)N(CC1CO1)C(=O)N(C)CC1CO1.
What is the InChIKey of N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide?
The InChIKey is WALHABVTMVSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O7/c1-3-23-7-11(20)4-17(10-19)15(22)18(6-13-9-25-13)14(21)16(2)5-12-8-24-12/h10-13,20H,3-9H2,1-2H3.
What are the key properties of N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide?
N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide has a molecular weight of 359.38 g/mol, XLogP of -0.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide is sourced from PubChem (CID 144687909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).