N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide

C14H30N2O2 — CID 81419108

IUPACN,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide
SMILESCCN(CC)C(=O)CCNCC(CC)(CC)CO
InChIInChI=1S/C14H30N2O2/c1-5-14(6-2,12-17)11-15-10-9-13(18)16(7-3)8-4/h15,17H,5-12H2,1-4H3
InChIKeyCSICYOJAXLGOKH-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds10

About N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide

N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide (PubChem CID 81419108) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide
PubChem CID81419108
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide
SMILESCCN(CC)C(=O)CCNCC(CC)(CC)CO
InChIInChI=1S/C14H30N2O2/c1-5-14(6-2,12-17)11-15-10-9-13(18)16(7-3)8-4/h15,17H,5-12H2,1-4H3
InChIKeyCSICYOJAXLGOKH-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
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

ethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]butanoate
CID 81418963
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide
CID 81412872
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2-[(3,3-diethoxypropylamino)methyl]-2-ethylbutan-1-ol
CID 106255675
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanenitrile
CID 81413168
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 60925508
N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 112685329
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N-ethyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81413181

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide (CID 81419108) is N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide is CCN(CC)C(=O)CCNCC(CC)(CC)CO.
What is the InChIKey of N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide?
The InChIKey is CSICYOJAXLGOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-14(6-2,12-17)11-15-10-9-13(18)16(7-3)8-4/h15,17H,5-12H2,1-4H3.
What are the key properties of N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide?
N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide has a molecular weight of 258.41 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propanamide is sourced from PubChem (CID 81419108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).