N-methyl-N-[2-(propylamino)ethyl]acetamide

C8H18N2O — CID 21337705

IUPACN-methyl-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCN(C)C(C)=O
InChIInChI=1S/C8H18N2O/c1-4-5-9-6-7-10(3)8(2)11/h9H,4-7H2,1-3H3
InChIKeyGGKUHMSCZGNORN-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.46
Rot. Bonds5

About N-methyl-N-[2-(propylamino)ethyl]acetamide

N-methyl-N-[2-(propylamino)ethyl]acetamide (PubChem CID 21337705) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-methyl-N-[2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(propylamino)ethyl]acetamide
PubChem CID21337705
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-methyl-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCN(C)C(C)=O
InChIInChI=1S/C8H18N2O/c1-4-5-9-6-7-10(3)8(2)11/h9H,4-7H2,1-3H3
InChIKeyGGKUHMSCZGNORN-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(propylamino)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(propylamino)ethyl]acetamide (CID 21337705) is N-methyl-N-[2-(propylamino)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(propylamino)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(propylamino)ethyl]acetamide is CCCNCCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-[2-(propylamino)ethyl]acetamide?
The InChIKey is GGKUHMSCZGNORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-5-9-6-7-10(3)8(2)11/h9H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-[2-(propylamino)ethyl]acetamide?
N-methyl-N-[2-(propylamino)ethyl]acetamide has a molecular weight of 158.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 21337705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).