2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide

C14H30N2O2 — CID 62016391

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(CCO)CCCC
InChIInChI=1S/C14H30N2O2/c1-4-6-8-9-15-14(18)13(3)16(11-12-17)10-7-5-2/h13,17H,4-12H2,1-3H3,(H,15,18)
InChIKeyVSVHNGAYPXTSIZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.78
Rot. Bonds11

About 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide

2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide (PubChem CID 62016391) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
PubChem CID62016391
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(CCO)CCCC
InChIInChI=1S/C14H30N2O2/c1-4-6-8-9-15-14(18)13(3)16(11-12-17)10-7-5-2/h13,17H,4-12H2,1-3H3,(H,15,18)
InChIKeyVSVHNGAYPXTSIZ-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.78
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-butan-2-yl-2-[butyl(2-hydroxyethyl)amino]propanamide
CID 62016390
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide
CID 62015666
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
3-[ethyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]-2-methylpropanoic acid
CID 62853681
3-[3-[bis(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 177295772
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
3-[3-[3-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]propyl-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176644700
3-[3-[bis[3-(decylamino)-2-hydroxy-3-oxopropyl]amino]propyl-(2-hydroxyethyl)amino]-N-decyl-2-hydroxypropanamide
CID 177295729

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide (CID 62016391) is 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N(CCO)CCCC.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide?
The InChIKey is VSVHNGAYPXTSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-6-8-9-15-14(18)13(3)16(11-12-17)10-7-5-2/h13,17H,4-12H2,1-3H3,(H,15,18).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide?
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide has a molecular weight of 258.41 g/mol, XLogP of 1.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 62016391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).