N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide

C12H26N2O2 — CID 167107449

IUPACN-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
SMILESCCNCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C12H26N2O2/c1-4-13-7-5-9-16-10-6-8-14-12(15)11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyXYRYTEMFKDXKTG-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.16
Rot. Bonds10

About N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide

N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide (PubChem CID 167107449) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
PubChem CID167107449
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
SMILESCCNCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C12H26N2O2/c1-4-13-7-5-9-16-10-6-8-14-12(15)11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyXYRYTEMFKDXKTG-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
3-[3-(ethylamino)propoxy]propylurea
CID 22381168
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 170007577
2-methyl-N-[5-[2-(6-methyldecoxy)ethoxy]pentyl]propanamide
CID 170091107
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide (CID 167107449) is N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide is CCNCCCOCCCNC(=O)C(C)C.
What is the InChIKey of N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide?
The InChIKey is XYRYTEMFKDXKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-13-7-5-9-16-10-6-8-14-12(15)11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide?
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 167107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).