N-butyl-2-methyl-N-propylprop-2-enamide

C11H21NO — CID 87098819

IUPACN-butyl-2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)N(CCC)CCCC
InChIInChI=1S/C11H21NO/c1-5-7-9-12(8-6-2)11(13)10(3)4/h3,5-9H2,1-2,4H3
InChIKeyDSVJYMHSOWZTIR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds6

About N-butyl-2-methyl-N-propylprop-2-enamide

N-butyl-2-methyl-N-propylprop-2-enamide (PubChem CID 87098819) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-butyl-2-methyl-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-propylprop-2-enamide
PubChem CID87098819
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-butyl-2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)N(CCC)CCCC
InChIInChI=1S/C11H21NO/c1-5-7-9-12(8-6-2)11(13)10(3)4/h3,5-9H2,1-2,4H3
InChIKeyDSVJYMHSOWZTIR-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
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-butyl-2-methyl-N-propylprop-2-enamide?
The IUPAC name of N-butyl-2-methyl-N-propylprop-2-enamide (CID 87098819) is N-butyl-2-methyl-N-propylprop-2-enamide.
What is the SMILES notation for N-butyl-2-methyl-N-propylprop-2-enamide?
The canonical SMILES for N-butyl-2-methyl-N-propylprop-2-enamide is C=C(C)C(=O)N(CCC)CCCC.
What is the InChIKey of N-butyl-2-methyl-N-propylprop-2-enamide?
The InChIKey is DSVJYMHSOWZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-9-12(8-6-2)11(13)10(3)4/h3,5-9H2,1-2,4H3.
What are the key properties of N-butyl-2-methyl-N-propylprop-2-enamide?
N-butyl-2-methyl-N-propylprop-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-propylprop-2-enamide is sourced from PubChem (CID 87098819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).