N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide

C14H30N2O2 — CID 114168386

IUPACN-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NCC(O)C(CC)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-9-15-14(18)11(4)16-10-13(17)12(6-2)7-3/h11-13,16-17H,5-10H2,1-4H3,(H,15,18)
InChIKeyQGXMKPSLINSKMR-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.68
Rot. Bonds10

About N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide

N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide (PubChem CID 114168386) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
PubChem CID114168386
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NCC(O)C(CC)CC
InChIInChI=1S/C14H30N2O2/c1-5-8-9-15-14(18)11(4)16-10-13(17)12(6-2)7-3/h11-13,16-17H,5-10H2,1-4H3,(H,15,18)
InChIKeyQGXMKPSLINSKMR-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 106286124
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106285348
N-butyl-2-(2-methoxypropylamino)propanamide
CID 102698101
N-cyclopropyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168417
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
2-(2-cyclopropylpropylamino)-N-pentylpropanamide
CID 115591539
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide?
The IUPAC name of N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide (CID 114168386) is N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide is CCCCNC(=O)C(C)NCC(O)C(CC)CC.
What is the InChIKey of N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide?
The InChIKey is QGXMKPSLINSKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-8-9-15-14(18)11(4)16-10-13(17)12(6-2)7-3/h11-13,16-17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide?
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide has a molecular weight of 258.41 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide is sourced from PubChem (CID 114168386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).