N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide

C15H28N2O2 — CID 551898

IUPACN,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide
SMILESCCN(CC)C(=O)CC(C(=O)N(CC)CC)=C(C)C
InChIInChI=1S/C15H28N2O2/c1-7-16(8-2)14(18)11-13(12(5)6)15(19)17(9-3)10-4/h7-11H2,1-6H3
InChIKeyVTAQSXYOCWFOFA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.45
Rot. Bonds7

About N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide

N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide (PubChem CID 551898) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide
PubChem CID551898
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide
SMILESCCN(CC)C(=O)CC(C(=O)N(CC)CC)=C(C)C
InChIInChI=1S/C15H28N2O2/c1-7-16(8-2)14(18)11-13(12(5)6)15(19)17(9-3)10-4/h7-11H2,1-6H3
InChIKeyVTAQSXYOCWFOFA-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Methyl-3-(methylethylidene)azolidine-2,5-dione
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N~1~,N~1~,N~4~,N~4~-Tetraethyl-2-methylidenebutanediamide
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1-Ethyl-3-propan-2-ylidenepyrrolidine-2,5-dione
CID 14943045
1-[4-(3,4-Diethyl-2,5-dioxopyrrol-1-yl)butyl]-3,4-diethylpyrrole-2,5-dione
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(Z)-N',N',2,3-tetraethylbut-2-enediamide
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1,4,5-Trimethyl-2,6(1H,3H)-pyridinedione
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1-tert-butyl-4-ethyl-3-methyl-2H-pyrrol-5-one
CID 58336896

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide?
The IUPAC name of N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide (CID 551898) is N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide.
What is the SMILES notation for N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide?
The canonical SMILES for N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide is CCN(CC)C(=O)CC(C(=O)N(CC)CC)=C(C)C.
What is the InChIKey of N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide?
The InChIKey is VTAQSXYOCWFOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-16(8-2)14(18)11-13(12(5)6)15(19)17(9-3)10-4/h7-11H2,1-6H3.
What are the key properties of N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide?
N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide has a molecular weight of 268.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethyl-2-propan-2-ylidenebutanediamide is sourced from PubChem (CID 551898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).