N',N'-diethyl-N-methylbutanediamide

C9H18N2O2 — CID 177056307

IUPACN',N'-diethyl-N-methylbutanediamide
SMILESCCN(CC)C(=O)CCC(=O)NC
InChIInChI=1S/C9H18N2O2/c1-4-11(5-2)9(13)7-6-8(12)10-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyPDIYWOFGNHBLCK-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.38
Rot. Bonds5

About N',N'-diethyl-N-methylbutanediamide

N',N'-diethyl-N-methylbutanediamide (PubChem CID 177056307) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N',N'-diethyl-N-methylbutanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-methylbutanediamide
PubChem CID177056307
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN',N'-diethyl-N-methylbutanediamide
SMILESCCN(CC)C(=O)CCC(=O)NC
InChIInChI=1S/C9H18N2O2/c1-4-11(5-2)9(13)7-6-8(12)10-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyPDIYWOFGNHBLCK-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-diethyl-N-methylbutanediamide 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,N-diethyl-3-(methylcarbamoylamino)propanamide
CID 115588408
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62832119
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
N,N-diethylbutanamide;2-[(hydroxyamino)methylsulfanyl]-N-methylacetamide
CID 178139900
N,N'-dimethylheptanediamide
CID 15166696
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
N,N-dimethylhexanamide;N-methylhexanamide
CID 90794993
N-methylheptacosanamide
CID 18175889
N-methylundecanamide
CID 23297450
N-methylnonadecanamide
CID 2724821
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methylbutanediamide?
The IUPAC name of N',N'-diethyl-N-methylbutanediamide (CID 177056307) is N',N'-diethyl-N-methylbutanediamide.
What is the SMILES notation for N',N'-diethyl-N-methylbutanediamide?
The canonical SMILES for N',N'-diethyl-N-methylbutanediamide is CCN(CC)C(=O)CCC(=O)NC.
What is the InChIKey of N',N'-diethyl-N-methylbutanediamide?
The InChIKey is PDIYWOFGNHBLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-11(5-2)9(13)7-6-8(12)10-3/h4-7H2,1-3H3,(H,10,12).
What are the key properties of N',N'-diethyl-N-methylbutanediamide?
N',N'-diethyl-N-methylbutanediamide has a molecular weight of 186.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methylbutanediamide is sourced from PubChem (CID 177056307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).