N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide

C12H25N3O4 — CID 103604491

IUPACN-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCCOCCOC
InChIInChI=1S/C12H25N3O4/c1-4-13-12(17)15-11(16)10(2)14-6-5-7-19-9-8-18-3/h10,14H,4-9H2,1-3H3,(H2,13,15,16,17)
InChIKeyYTAXHZQSJWIFDM-UHFFFAOYSA-N
MW275.35 g/mol
LogP-0.14
Rot. Bonds10

About N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide

N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide (PubChem CID 103604491) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide
PubChem CID103604491
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC NameN-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCCOCCOC
InChIInChI=1S/C12H25N3O4/c1-4-13-12(17)15-11(16)10(2)14-6-5-7-19-9-8-18-3/h10,14H,4-9H2,1-3H3,(H2,13,15,16,17)
InChIKeyYTAXHZQSJWIFDM-UHFFFAOYSA-N
XLogP-0.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
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 ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide (CID 103604491) is N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide is CCNC(=O)NC(=O)C(C)NCCCOCCOC.
What is the InChIKey of N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide?
The InChIKey is YTAXHZQSJWIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-4-13-12(17)15-11(16)10(2)14-6-5-7-19-9-8-18-3/h10,14H,4-9H2,1-3H3,(H2,13,15,16,17).
What are the key properties of N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide?
N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide has a molecular weight of 275.35 g/mol, XLogP of -0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[3-(2-methoxyethoxy)propylamino]propanamide is sourced from PubChem (CID 103604491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).