N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide

C15H25N3O7 — CID 139352309

IUPACN-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
SMILESCCOCC(O)CN(C(C)=O)C(=O)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C15H25N3O7/c1-3-23-7-11(20)5-17(10(2)19)15(22)18(6-13-9-25-13)14(21)16-4-12-8-24-12/h11-13,20H,3-9H2,1-2H3,(H,16,21)
InChIKeyWDYTTYAPFVRHSC-UHFFFAOYSA-N
MW359.38 g/mol
LogP-0.84
Rot. Bonds9

About N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide

N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide (PubChem CID 139352309) has the molecular formula C15H25N3O7 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
PubChem CID139352309
Molecular FormulaC15H25N3O7
Molecular Weight359.38 g/mol
Exact Mass359.17
IUPAC NameN-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
SMILESCCOCC(O)CN(C(C)=O)C(=O)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C15H25N3O7/c1-3-23-7-11(20)5-17(10(2)19)15(22)18(6-13-9-25-13)14(21)16-4-12-8-24-12/h11-13,20H,3-9H2,1-2H3,(H,16,21)
InChIKeyWDYTTYAPFVRHSC-UHFFFAOYSA-N
XLogP-0.84
TPSA124.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 90243288
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 134566947
N-(3-ethoxy-2-hydroxypropyl)-N-[[methyl(oxiran-2-ylmethyl)carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]formamide
CID 144687909
N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
CID 149161761
[3-[Acetyl-[1-(methylamino)ethyl]amino]-2-hydroxypropyl] propanoate
CID 164079693
2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 174257210
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(propylcarbamoyl)acetamide
CID 62014202
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)acetamide
CID 62014588
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 62014958
N-(ethylcarbamoyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62014966
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 62015172
3-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 114243567

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
The IUPAC name of N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide (CID 139352309) is N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide.
What is the SMILES notation for N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
The canonical SMILES for N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide is CCOCC(O)CN(C(C)=O)C(=O)N(CC1CO1)C(=O)NCC1CO1.
What is the InChIKey of N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
The InChIKey is WDYTTYAPFVRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O7/c1-3-23-7-11(20)5-17(10(2)19)15(22)18(6-13-9-25-13)14(21)16-4-12-8-24-12/h11-13,20H,3-9H2,1-2H3,(H,16,21).
What are the key properties of N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide?
N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide has a molecular weight of 359.38 g/mol, XLogP of -0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide is sourced from PubChem (CID 139352309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).