N-(2,4-dimethylpentan-2-yl)prop-2-enamide

C10H19NO — CID 10080790

IUPACN-(2,4-dimethylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CC(C)C
InChIInChI=1S/C10H19NO/c1-6-9(12)11-10(4,5)7-8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeySEBNLVNRGFCFBS-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds4

About N-(2,4-dimethylpentan-2-yl)prop-2-enamide

N-(2,4-dimethylpentan-2-yl)prop-2-enamide (PubChem CID 10080790) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-2-yl)prop-2-enamide
PubChem CID10080790
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2,4-dimethylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CC(C)C
InChIInChI=1S/C10H19NO/c1-6-9(12)11-10(4,5)7-8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeySEBNLVNRGFCFBS-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of N-(2,4-dimethylpentan-2-yl)prop-2-enamide (CID 10080790) is N-(2,4-dimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2,4-dimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2,4-dimethylpentan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)CC(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-2-yl)prop-2-enamide?
The InChIKey is SEBNLVNRGFCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-9(12)11-10(4,5)7-8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of N-(2,4-dimethylpentan-2-yl)prop-2-enamide?
N-(2,4-dimethylpentan-2-yl)prop-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 10080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).