N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide

C14H30N2O2 — CID 62015666

IUPACN-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(CCO)C(CC)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-9-15-14(18)12(4)16(10-11-17)13(6-2)7-3/h12-13,17H,5-11H2,1-4H3,(H,15,18)
InChIKeyDHPHMIHAHFXLBO-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.77
Rot. Bonds10

About N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide

N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide (PubChem CID 62015666) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide
PubChem CID62015666
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(CCO)C(CC)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-9-15-14(18)12(4)16(10-11-17)13(6-2)7-3/h12-13,17H,5-11H2,1-4H3,(H,15,18)
InChIKeyDHPHMIHAHFXLBO-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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

3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one
CID 62035780
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
2-[butan-2-yl(pentan-3-yl)amino]ethanol
CID 62016641
2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
CID 63761733
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
N-butyl-2-silylpropanamide
CID 123860399
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide?
The IUPAC name of N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide (CID 62015666) is N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide?
The canonical SMILES for N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide is CCCCNC(=O)C(C)N(CCO)C(CC)CC.
What is the InChIKey of N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide?
The InChIKey is DHPHMIHAHFXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-8-9-15-14(18)12(4)16(10-11-17)13(6-2)7-3/h12-13,17H,5-11H2,1-4H3,(H,15,18).
What are the key properties of N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide?
N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide has a molecular weight of 258.41 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide is sourced from PubChem (CID 62015666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).