N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide

C9H18N2O2 — CID 22908371

IUPACN-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCN(C)C(C)=O
InChIInChI=1S/C9H18N2O2/c1-8(12)10(3)6-5-7-11(4)9(2)13/h5-7H2,1-4H3
InChIKeyMCXWDPJAMNUPFZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.33
Rot. Bonds4

About N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide

N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide (PubChem CID 22908371) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide
PubChem CID22908371
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCN(C)C(C)=O
InChIInChI=1S/C9H18N2O2/c1-8(12)10(3)6-5-7-11(4)9(2)13/h5-7H2,1-4H3
InChIKeyMCXWDPJAMNUPFZ-UHFFFAOYSA-N
XLogP0.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide (CID 22908371) is N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide is CC(=O)N(C)CCCN(C)C(C)=O.
What is the InChIKey of N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide?
The InChIKey is MCXWDPJAMNUPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(12)10(3)6-5-7-11(4)9(2)13/h5-7H2,1-4H3.
What are the key properties of N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide?
N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide has a molecular weight of 186.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide is sourced from PubChem (CID 22908371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).