N-[3-(dibutylamino)propyl]-2-hydroxypropanamide

C14H30N2O2 — CID 3030790

IUPACN-[3-(dibutylamino)propyl]-2-hydroxypropanamide
SMILESCCCCN(CCCC)CCCNC(=O)C(C)O
InChIInChI=1S/C14H30N2O2/c1-4-6-10-16(11-7-5-2)12-8-9-15-14(18)13(3)17/h13,17H,4-12H2,1-3H3,(H,15,18)
InChIKeyZXRJSRYVQVEESR-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.78
Rot. Bonds11

About N-[3-(dibutylamino)propyl]-2-hydroxypropanamide

N-[3-(dibutylamino)propyl]-2-hydroxypropanamide (PubChem CID 3030790) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-2-hydroxypropanamide
PubChem CID3030790
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[3-(dibutylamino)propyl]-2-hydroxypropanamide
SMILESCCCCN(CCCC)CCCNC(=O)C(C)O
InChIInChI=1S/C14H30N2O2/c1-4-6-10-16(11-7-5-2)12-8-9-15-14(18)13(3)17/h13,17H,4-12H2,1-3H3,(H,15,18)
InChIKeyZXRJSRYVQVEESR-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-(2-hydroxyethyl)lactamide
CID 95457
Lactamidopropyl trimonium chloride
CID 71587349
n-Ethyl-2-hydroxypropanamide
CID 95456
Lactamide, N-octyl-
CID 223432
N,N-Dibutyllactamide
CID 223947
2-Hydroxy-n-(2-hydroxypropyl)propanamide
CID 221331
2-Hydroxy-N-(3-(trimethylazaniumyl)propyl)propanimidate--hydrogen iodide (1/1)
CID 52044
(2S)-N-ethyl-2-hydroxypropanamide
CID 45085116
3-Amino-2-hydroxy-N-methylpropanamide
CID 76223602
N-(3-acetylamino-2-hydroxypropyl)acetamide
CID 332254
1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
CID 28408742
N-(4-((3-Aminopropyl)amino)butyl)-2,2-dihydroxyacetamide
CID 133565

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)propyl]-2-hydroxypropanamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-2-hydroxypropanamide (CID 3030790) is N-[3-(dibutylamino)propyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]-2-hydroxypropanamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-2-hydroxypropanamide is CCCCN(CCCC)CCCNC(=O)C(C)O.
What is the InChIKey of N-[3-(dibutylamino)propyl]-2-hydroxypropanamide?
The InChIKey is ZXRJSRYVQVEESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-6-10-16(11-7-5-2)12-8-9-15-14(18)13(3)17/h13,17H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(dibutylamino)propyl]-2-hydroxypropanamide?
N-[3-(dibutylamino)propyl]-2-hydroxypropanamide 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 N-[3-(dibutylamino)propyl]-2-hydroxypropanamide is sourced from PubChem (CID 3030790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).