N-butyl-2-methyl-N-octylprop-2-enamide

C16H31NO — CID 20743986

IUPACN-butyl-2-methyl-N-octylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CCCCCCCC
InChIInChI=1S/C16H31NO/c1-5-7-9-10-11-12-14-17(13-8-6-2)16(18)15(3)4/h3,5-14H2,1-2,4H3
InChIKeyHTNYPJJULMLJRI-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.55
Rot. Bonds11

About N-butyl-2-methyl-N-octylprop-2-enamide

N-butyl-2-methyl-N-octylprop-2-enamide (PubChem CID 20743986) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-butyl-2-methyl-N-octylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-octylprop-2-enamide
PubChem CID20743986
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-butyl-2-methyl-N-octylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CCCCCCCC
InChIInChI=1S/C16H31NO/c1-5-7-9-10-11-12-14-17(13-8-6-2)16(18)15(3)4/h3,5-14H2,1-2,4H3
InChIKeyHTNYPJJULMLJRI-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N,N,N',N'-tetrahexyloxamide
CID 6424911
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-butyl-N-heptylacetamide
CID 91713167
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N',N'-dioctadecyloxamide
CID 54497742

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-octylprop-2-enamide?
The IUPAC name of N-butyl-2-methyl-N-octylprop-2-enamide (CID 20743986) is N-butyl-2-methyl-N-octylprop-2-enamide.
What is the SMILES notation for N-butyl-2-methyl-N-octylprop-2-enamide?
The canonical SMILES for N-butyl-2-methyl-N-octylprop-2-enamide is C=C(C)C(=O)N(CCCC)CCCCCCCC.
What is the InChIKey of N-butyl-2-methyl-N-octylprop-2-enamide?
The InChIKey is HTNYPJJULMLJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-7-9-10-11-12-14-17(13-8-6-2)16(18)15(3)4/h3,5-14H2,1-2,4H3.
What are the key properties of N-butyl-2-methyl-N-octylprop-2-enamide?
N-butyl-2-methyl-N-octylprop-2-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.55, 11 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-octylprop-2-enamide is sourced from PubChem (CID 20743986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).