2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide

C14H29N3O3 — CID 107204289

IUPAC2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN(C)CCCCCO
InChIInChI=1S/C14H29N3O3/c1-12(2)7-8-15-14(20)16-13(19)11-17(3)9-5-4-6-10-18/h12,18H,4-11H2,1-3H3,(H2,15,16,19,20)
InChIKeyYFELLUNKMMSMAF-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.95
Rot. Bonds10

About 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide

2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 107204289) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID107204289
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN(C)CCCCCO
InChIInChI=1S/C14H29N3O3/c1-12(2)7-8-15-14(20)16-13(19)11-17(3)9-5-4-6-10-18/h12,18H,4-11H2,1-3H3,(H2,15,16,19,20)
InChIKeyYFELLUNKMMSMAF-UHFFFAOYSA-N
XLogP0.95
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide
CID 9039845
4-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]butanoic acid
CID 55005840
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334696
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
1,3-bis(3-methylbutyl)urea
CID 22563958
2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide (CID 107204289) is 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)CN(C)CCCCCO.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is YFELLUNKMMSMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-12(2)7-8-15-14(20)16-13(19)11-17(3)9-5-4-6-10-18/h12,18H,4-11H2,1-3H3,(H2,15,16,19,20).
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide?
2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 287.40 g/mol, XLogP of 0.95, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 107204289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).