N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide

C8H18N2O2 — CID 20627470

IUPACN-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)CCO
InChIInChI=1S/C8H18N2O2/c1-8(12)9-4-3-5-10(2)6-7-11/h11H,3-7H2,1-2H3,(H,9,12)
InChIKeyVUQHJARPIDUVBK-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.56
Rot. Bonds6

About N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide

N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide (PubChem CID 20627470) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide
PubChem CID20627470
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC NameN-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)CCO
InChIInChI=1S/C8H18N2O2/c1-8(12)9-4-3-5-10(2)6-7-11/h11H,3-7H2,1-2H3,(H,9,12)
InChIKeyVUQHJARPIDUVBK-UHFFFAOYSA-N
XLogP-0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.56
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

Lactamidopropyl trimonium chloride
CID 71587349
Propionylaminoethanol
CID 87536
2-Hydroxy-N-(3-(trimethylazaniumyl)propyl)propanimidate--hydrogen iodide (1/1)
CID 52044
3-acetamido-N-(2-hydroxyethyl)propanamide
CID 19805630
N-(3-acetylamino-2-hydroxypropyl)acetamide
CID 332254
3-(dimethylamino)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 81682846
(R)-N-(2-Hydroxypropyl)acetamide
CID 13425477
N'-glycoloyl-N,N-dimethyl-1,3-propanediamine
CID 15405417
N-glycoloyl-1,3-propanediamine
CID 88548162
N'-glycoloyl-N-methyl-1,3-propanediamine
CID 117126613
3-(2-Hydroxypropanoylamino)propyl-trimethylazanium
CID 52045
N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide (CID 20627470) is N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide is CC(=O)NCCCN(C)CCO.
What is the InChIKey of N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide?
The InChIKey is VUQHJARPIDUVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(12)9-4-3-5-10(2)6-7-11/h11H,3-7H2,1-2H3,(H,9,12).
What are the key properties of N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide?
N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide has a molecular weight of 174.24 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxyethyl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 20627470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).