N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride

C21H45ClN2O2 — CID 3049995

IUPACN,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride
SMILESCCCCN(CCCC)CC(O)CCC(=O)N(CCCC)CCCC.Cl
InChIInChI=1S/C21H44N2O2.ClH/c1-5-9-15-22(16-10-6-2)19-20(24)13-14-21(25)23(17-11-7-3)18-12-8-4;/h20,24H,5-19H2,1-4H3;1H
InChIKeyINBYLRIHNKHCAA-UHFFFAOYSA-N
MW393.06 g/mol
LogP4.88
Rot. Bonds17

About N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride

N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride (PubChem CID 3049995) has the molecular formula C21H45ClN2O2 and a molecular weight of 393.06 g/mol. Its IUPAC name is N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride.

Molecular Properties

Compound NameN,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride
PubChem CID3049995
Molecular FormulaC21H45ClN2O2
Molecular Weight393.06 g/mol
Exact Mass392.32
IUPAC NameN,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride
SMILESCCCCN(CCCC)CC(O)CCC(=O)N(CCCC)CCCC.Cl
InChIInChI=1S/C21H44N2O2.ClH/c1-5-9-15-22(16-10-6-2)19-20(24)13-14-21(25)23(17-11-7-3)18-12-8-4;/h20,24H,5-19H2,1-4H3;1H
InChIKeyINBYLRIHNKHCAA-UHFFFAOYSA-N
XLogP4.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.06
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride?
The IUPAC name of N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride (CID 3049995) is N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride.
What is the SMILES notation for N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride?
The canonical SMILES for N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride is CCCCN(CCCC)CC(O)CCC(=O)N(CCCC)CCCC.Cl.
What is the InChIKey of N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride?
The InChIKey is INBYLRIHNKHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2.ClH/c1-5-9-15-22(16-10-6-2)19-20(24)13-14-21(25)23(17-11-7-3)18-12-8-4;/h20,24H,5-19H2,1-4H3;1H.
What are the key properties of N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride?
N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride has a molecular weight of 393.06 g/mol, XLogP of 4.88, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide;hydrochloride is sourced from PubChem (CID 3049995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).