3-(dibutylamino)-2-methylidenebutanamide

C13H26N2O — CID 19885813

IUPAC3-(dibutylamino)-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)N(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-5-7-9-15(10-8-6-2)12(4)11(3)13(14)16/h12H,3,5-10H2,1-2,4H3,(H2,14,16)
InChIKeyGDKYJVRKIJWFSN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.32
Rot. Bonds9

About 3-(dibutylamino)-2-methylidenebutanamide

3-(dibutylamino)-2-methylidenebutanamide (PubChem CID 19885813) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(dibutylamino)-2-methylidenebutanamide.

Molecular Properties

Compound Name3-(dibutylamino)-2-methylidenebutanamide
PubChem CID19885813
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(dibutylamino)-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)N(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-5-7-9-15(10-8-6-2)12(4)11(3)13(14)16/h12H,3,5-10H2,1-2,4H3,(H2,14,16)
InChIKeyGDKYJVRKIJWFSN-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(dibutylamino)-N,N-dimethylpropanamide
CID 162754139
(2S)-2-(didecylamino)propanoic acid
CID 54553800
2-[di(undecyl)amino]propanoic acid
CID 101313686
2-(dipropylamino)propanamide
CID 18474126
3-(diethylamino)-2-methylidenebutanoic acid
CID 87069221
2-[butyl(methyl)amino]propanamide
CID 60644986
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
butyl(propan-2-yl)carbamic acid
CID 87287717
2-methylidene-3-octyldodecanamide
CID 87240147
3-[butyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329356
ethane;3-methyl-2-methylidenehexanamide
CID 145466339
calcium bis(2-(didecylamino)propanoate)
CID 101313682

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-2-methylidenebutanamide?
The IUPAC name of 3-(dibutylamino)-2-methylidenebutanamide (CID 19885813) is 3-(dibutylamino)-2-methylidenebutanamide.
What is the SMILES notation for 3-(dibutylamino)-2-methylidenebutanamide?
The canonical SMILES for 3-(dibutylamino)-2-methylidenebutanamide is C=C(C(N)=O)C(C)N(CCCC)CCCC.
What is the InChIKey of 3-(dibutylamino)-2-methylidenebutanamide?
The InChIKey is GDKYJVRKIJWFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-9-15(10-8-6-2)12(4)11(3)13(14)16/h12H,3,5-10H2,1-2,4H3,(H2,14,16).
What are the key properties of 3-(dibutylamino)-2-methylidenebutanamide?
3-(dibutylamino)-2-methylidenebutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-2-methylidenebutanamide is sourced from PubChem (CID 19885813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).