N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide

C14H26N2O3 — CID 123748304

IUPACN-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide
SMILESCCC(C)=C(C)C(=O)NCC(C)(C)NC(=O)C(C)O
InChIInChI=1S/C14H26N2O3/c1-7-9(2)10(3)12(18)15-8-14(5,6)16-13(19)11(4)17/h11,17H,7-8H2,1-6H3,(H,15,18)(H,16,19)
InChIKeyQSUXLMPGCYEQMM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide

N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide (PubChem CID 123748304) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide
PubChem CID123748304
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide
SMILESCCC(C)=C(C)C(=O)NCC(C)(C)NC(=O)C(C)O
InChIInChI=1S/C14H26N2O3/c1-7-9(2)10(3)12(18)15-8-14(5,6)16-13(19)11(4)17/h11,17H,7-8H2,1-6H3,(H,15,18)(H,16,19)
InChIKeyQSUXLMPGCYEQMM-UHFFFAOYSA-N
XLogP1.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide?
The IUPAC name of N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide (CID 123748304) is N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide?
The canonical SMILES for N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide is CCC(C)=C(C)C(=O)NCC(C)(C)NC(=O)C(C)O.
What is the InChIKey of N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide?
The InChIKey is QSUXLMPGCYEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-7-9(2)10(3)12(18)15-8-14(5,6)16-13(19)11(4)17/h11,17H,7-8H2,1-6H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide?
N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide has a molecular weight of 270.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropanoylamino)-2-methylpropyl]-2,3-dimethylpent-2-enamide is sourced from PubChem (CID 123748304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).