(E)-N-(3,3-dimethylbutyl)but-2-enamide

C10H19NO — CID 115580737

IUPAC(E)-N-(3,3-dimethylbutyl)but-2-enamide
SMILESC/C=C/C(=O)NCCC(C)(C)C
InChIInChI=1S/C10H19NO/c1-5-6-9(12)11-8-7-10(2,3)4/h5-6H,7-8H2,1-4H3,(H,11,12)/b6-5+
InChIKeyFZRPPSNFJHKFDI-AATRIKPKSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds3

About (E)-N-(3,3-dimethylbutyl)but-2-enamide

(E)-N-(3,3-dimethylbutyl)but-2-enamide (PubChem CID 115580737) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylbutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylbutyl)but-2-enamide
PubChem CID115580737
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-N-(3,3-dimethylbutyl)but-2-enamide
SMILESC/C=C/C(=O)NCCC(C)(C)C
InChIInChI=1S/C10H19NO/c1-5-6-9(12)11-8-7-10(2,3)4/h5-6H,7-8H2,1-4H3,(H,11,12)/b6-5+
InChIKeyFZRPPSNFJHKFDI-AATRIKPKSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-pent-4-enylbut-2-enamide
CID 122404178
N-[5-(methylamino)pentyl]but-2-enamide
CID 91428426
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876
N-[2-(methanesulfonamido)ethyl]but-2-enamide
CID 112727079
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033
N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 115569712
N-(2,4,4-trimethylpentan-2-yl)but-2-enamide
CID 112725240
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(E)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyl-[(3E)-penta-1,3-dien-2-yl]amino]ethyl]but-2-enamide
CID 135130002
(E)-N-(5-methylsulfanylpentyl)but-2-enamide
CID 104920081
N-(7-methyloctyl)but-2-enamide
CID 112727082
2-amino-4-[[(E)-but-2-enoyl]amino]butanoic acid
CID 129218580

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-dimethylbutyl)but-2-enamide?
The IUPAC name of (E)-N-(3,3-dimethylbutyl)but-2-enamide (CID 115580737) is (E)-N-(3,3-dimethylbutyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3,3-dimethylbutyl)but-2-enamide?
The canonical SMILES for (E)-N-(3,3-dimethylbutyl)but-2-enamide is C/C=C/C(=O)NCCC(C)(C)C.
What is the InChIKey of (E)-N-(3,3-dimethylbutyl)but-2-enamide?
The InChIKey is FZRPPSNFJHKFDI-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-9(12)11-8-7-10(2,3)4/h5-6H,7-8H2,1-4H3,(H,11,12)/b6-5+.
What are the key properties of (E)-N-(3,3-dimethylbutyl)but-2-enamide?
(E)-N-(3,3-dimethylbutyl)but-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylbutyl)but-2-enamide is sourced from PubChem (CID 115580737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).