N-(2,3,3-trimethylbutyl)prop-2-enamide

C10H19NO — CID 83142372

IUPACN-(2,3,3-trimethylbutyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-9(12)11-7-8(2)10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyYJHXFZIRBWOHRL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.97
Rot. Bonds3

About N-(2,3,3-trimethylbutyl)prop-2-enamide

N-(2,3,3-trimethylbutyl)prop-2-enamide (PubChem CID 83142372) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2,3,3-trimethylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3,3-trimethylbutyl)prop-2-enamide
PubChem CID83142372
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2,3,3-trimethylbutyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-9(12)11-7-8(2)10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyYJHXFZIRBWOHRL-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876
N-(2-aminopropyl)prop-2-enamide
CID 19993421
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
5,6,6-trimethylhept-1-en-3-one
CID 114982432
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylbutyl)prop-2-enamide?
The IUPAC name of N-(2,3,3-trimethylbutyl)prop-2-enamide (CID 83142372) is N-(2,3,3-trimethylbutyl)prop-2-enamide.
What is the SMILES notation for N-(2,3,3-trimethylbutyl)prop-2-enamide?
The canonical SMILES for N-(2,3,3-trimethylbutyl)prop-2-enamide is C=CC(=O)NCC(C)C(C)(C)C.
What is the InChIKey of N-(2,3,3-trimethylbutyl)prop-2-enamide?
The InChIKey is YJHXFZIRBWOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-9(12)11-7-8(2)10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of N-(2,3,3-trimethylbutyl)prop-2-enamide?
N-(2,3,3-trimethylbutyl)prop-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylbutyl)prop-2-enamide is sourced from PubChem (CID 83142372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).