ethane;N-methyl-N-(3-oxopropyl)acetamide

C8H17NO2 — CID 143162499

IUPACethane;N-methyl-N-(3-oxopropyl)acetamide
SMILESCC.CC(=O)N(C)CCC=O
InChIInChI=1S/C6H11NO2.C2H6/c1-6(9)7(2)4-3-5-8;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyLTHARDSCDVVQPN-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds3

About ethane;N-methyl-N-(3-oxopropyl)acetamide

ethane;N-methyl-N-(3-oxopropyl)acetamide (PubChem CID 143162499) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethane;N-methyl-N-(3-oxopropyl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(3-oxopropyl)acetamide
PubChem CID143162499
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethane;N-methyl-N-(3-oxopropyl)acetamide
SMILESCC.CC(=O)N(C)CCC=O
InChIInChI=1S/C6H11NO2.C2H6/c1-6(9)7(2)4-3-5-8;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyLTHARDSCDVVQPN-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-N-(3-oxopropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-oxoethyl)acetamide
CID 15885752
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
N-methyl-N-(3-oxopropyl)but-2-ynamide
CID 143826585
N-butyl-N-methylacetamide;ethane
CID 142088805
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531
N-(2-chloroethyl)-N-methylacetamide
CID 63391485
3-[bis(3-oxopropyl)amino]propanal
CID 89031167
ethane;N-ethyl-N-(4-oxobutyl)acetamide
CID 143387897
N-(3-aminobutyl)-N-methylacetamide
CID 88939316
ethane;N-methyl-N-octylacetamide
CID 142531459
N-[2-(diiodoamino)ethyl]-N-methylacetamide
CID 167185842

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(3-oxopropyl)acetamide?
The IUPAC name of ethane;N-methyl-N-(3-oxopropyl)acetamide (CID 143162499) is ethane;N-methyl-N-(3-oxopropyl)acetamide.
What is the SMILES notation for ethane;N-methyl-N-(3-oxopropyl)acetamide?
The canonical SMILES for ethane;N-methyl-N-(3-oxopropyl)acetamide is CC.CC(=O)N(C)CCC=O.
What is the InChIKey of ethane;N-methyl-N-(3-oxopropyl)acetamide?
The InChIKey is LTHARDSCDVVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-6(9)7(2)4-3-5-8;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(3-oxopropyl)acetamide?
ethane;N-methyl-N-(3-oxopropyl)acetamide has a molecular weight of 159.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(3-oxopropyl)acetamide is sourced from PubChem (CID 143162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).