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

C10H21N3O4 — CID 103605696

IUPACN-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide
SMILESCOCCOCCCNC(C)C(=O)NC(N)=O
InChIInChI=1S/C10H21N3O4/c1-8(9(14)13-10(11)15)12-4-3-5-17-7-6-16-2/h8,12H,3-7H2,1-2H3,(H3,11,13,14,15)
InChIKeyJTRSFGSYSVFCJH-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.79
Rot. Bonds9

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

N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide (PubChem CID 103605696) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide
PubChem CID103605696
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC NameN-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide
SMILESCOCCOCCCNC(C)C(=O)NC(N)=O
InChIInChI=1S/C10H21N3O4/c1-8(9(14)13-10(11)15)12-4-3-5-17-7-6-16-2/h8,12H,3-7H2,1-2H3,(H3,11,13,14,15)
InChIKeyJTRSFGSYSVFCJH-UHFFFAOYSA-N
XLogP-0.79
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.79
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-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide (CID 103605696) is N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide is COCCOCCCNC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide?
The InChIKey is JTRSFGSYSVFCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-8(9(14)13-10(11)15)12-4-3-5-17-7-6-16-2/h8,12H,3-7H2,1-2H3,(H3,11,13,14,15).
What are the key properties of N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide?
N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide has a molecular weight of 247.29 g/mol, XLogP of -0.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-(2-methoxyethoxy)propylamino]propanamide is sourced from PubChem (CID 103605696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).