N-(4-hydroxybutyl)-2-(methylamino)acetamide

C7H16N2O2 — CID 106841932

IUPACN-(4-hydroxybutyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCCO
InChIInChI=1S/C7H16N2O2/c1-8-6-7(11)9-4-2-3-5-10/h8,10H,2-6H2,1H3,(H,9,11)
InChIKeyMSLAPXZDVUYHDQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.91
Rot. Bonds6

About N-(4-hydroxybutyl)-2-(methylamino)acetamide

N-(4-hydroxybutyl)-2-(methylamino)acetamide (PubChem CID 106841932) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-(methylamino)acetamide
PubChem CID106841932
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN-(4-hydroxybutyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCCO
InChIInChI=1S/C7H16N2O2/c1-8-6-7(11)9-4-2-3-5-10/h8,10H,2-6H2,1H3,(H,9,11)
InChIKeyMSLAPXZDVUYHDQ-UHFFFAOYSA-N
XLogP-0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.91
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-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
N-[2-(6-hydroxyhexylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 103919391
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545
2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide
CID 58957783
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-(methylamino)acetamide?
The IUPAC name of N-(4-hydroxybutyl)-2-(methylamino)acetamide (CID 106841932) is N-(4-hydroxybutyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-(methylamino)acetamide is CNCC(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-(methylamino)acetamide?
The InChIKey is MSLAPXZDVUYHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-8-6-7(11)9-4-2-3-5-10/h8,10H,2-6H2,1H3,(H,9,11).
What are the key properties of N-(4-hydroxybutyl)-2-(methylamino)acetamide?
N-(4-hydroxybutyl)-2-(methylamino)acetamide has a molecular weight of 160.22 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-(methylamino)acetamide is sourced from PubChem (CID 106841932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).