3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide

C12H27N3O2 — CID 63690176

IUPAC3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(CC)CCOCC)C(N)=O
InChIInChI=1S/C12H27N3O2/c1-4-7-14-11(12(13)16)10-15(5-2)8-9-17-6-3/h11,14H,4-10H2,1-3H3,(H2,13,16)
InChIKeySKSHELSIXWDYIJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.20
Rot. Bonds11

About 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide

3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide (PubChem CID 63690176) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
PubChem CID63690176
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(CC)CCOCC)C(N)=O
InChIInChI=1S/C12H27N3O2/c1-4-7-14-11(12(13)16)10-15(5-2)8-9-17-6-3/h11,14H,4-10H2,1-3H3,(H2,13,16)
InChIKeySKSHELSIXWDYIJ-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide (CID 63690176) is 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide is CCCNC(CN(CC)CCOCC)C(N)=O.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide?
The InChIKey is SKSHELSIXWDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-7-14-11(12(13)16)10-15(5-2)8-9-17-6-3/h11,14H,4-10H2,1-3H3,(H2,13,16).
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide?
3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide has a molecular weight of 245.37 g/mol, XLogP of 0.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide is sourced from PubChem (CID 63690176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).