N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide

C12H25N3O4 — CID 156523640

IUPACN-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESCCNC(=O)NCCOCCOCCNC(=O)CC
InChIInChI=1S/C12H25N3O4/c1-3-11(16)14-5-7-18-9-10-19-8-6-15-12(17)13-4-2/h3-10H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyHOHACKCCJXNIBS-UHFFFAOYSA-N
MW275.35 g/mol
LogP-0.14
Rot. Bonds11

About N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 156523640) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
PubChem CID156523640
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC NameN-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
SMILESCCNC(=O)NCCOCCOCCNC(=O)CC
InChIInChI=1S/C12H25N3O4/c1-3-11(16)14-5-7-18-9-10-19-8-6-15-12(17)13-4-2/h3-10H2,1-2H3,(H,14,16)(H2,13,15,17)
InChIKeyHOHACKCCJXNIBS-UHFFFAOYSA-N
XLogP-0.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibutyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
CID 657534
N,N'-dibutyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxamide
CID 657657
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
CID 142616140
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
CID 142623240
N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]propanamide
CID 155402016
N-[3-[2-[2-(ethylamino)ethoxy]ethoxy]-2-fluoropropyl]propanamide
CID 155405319
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
CID 155449550
N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]acetamide
CID 155739550
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
CID 178842198
3-[2-[2-[2-(2-Acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 129012127
2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 176433412
N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide
CID 171646908

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide (CID 156523640) is N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide is CCNC(=O)NCCOCCOCCNC(=O)CC.
What is the InChIKey of N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is HOHACKCCJXNIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-3-11(16)14-5-7-18-9-10-19-8-6-15-12(17)13-4-2/h3-10H2,1-2H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide?
N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of -0.14, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(ethylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 156523640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).