N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide

C11H19NO — CID 134197664

IUPACN-(3-methylbutyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCC(C)C)C(=O)C=C
InChIInChI=1S/C11H19NO/c1-5-8-12(11(13)6-2)9-7-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyOFGBKQUTXGPPEB-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.23
Rot. Bonds6

About N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide

N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide (PubChem CID 134197664) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-prop-2-enylprop-2-enamide
PubChem CID134197664
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(3-methylbutyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCC(C)C)C(=O)C=C
InChIInChI=1S/C11H19NO/c1-5-8-12(11(13)6-2)9-7-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyOFGBKQUTXGPPEB-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide (CID 134197664) is N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide is C=CCN(CCC(C)C)C(=O)C=C.
What is the InChIKey of N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is OFGBKQUTXGPPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-8-12(11(13)6-2)9-7-10(3)4/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide?
N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 134197664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).