N-butyl-2-methyl-N-pentylprop-2-enamide

C13H25NO — CID 87098831

IUPACN-butyl-2-methyl-N-pentylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CCCCC
InChIInChI=1S/C13H25NO/c1-5-7-9-11-14(10-8-6-2)13(15)12(3)4/h3,5-11H2,1-2,4H3
InChIKeyJRQRVWHOWRGRSX-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds8

About N-butyl-2-methyl-N-pentylprop-2-enamide

N-butyl-2-methyl-N-pentylprop-2-enamide (PubChem CID 87098831) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-butyl-2-methyl-N-pentylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-pentylprop-2-enamide
PubChem CID87098831
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-butyl-2-methyl-N-pentylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CCCCC
InChIInChI=1S/C13H25NO/c1-5-7-9-11-14(10-8-6-2)13(15)12(3)4/h3,5-11H2,1-2,4H3
InChIKeyJRQRVWHOWRGRSX-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.38
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-octylprop-2-enamide
CID 20743986
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-butyl-N-heptylacetamide
CID 91713167
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160771309
N-butyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2-methylprop-2-enamide
CID 21020754
N-butyl-2-methyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)prop-2-enamide
CID 59165186
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
CID 87504496

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-pentylprop-2-enamide?
The IUPAC name of N-butyl-2-methyl-N-pentylprop-2-enamide (CID 87098831) is N-butyl-2-methyl-N-pentylprop-2-enamide.
What is the SMILES notation for N-butyl-2-methyl-N-pentylprop-2-enamide?
The canonical SMILES for N-butyl-2-methyl-N-pentylprop-2-enamide is C=C(C)C(=O)N(CCCC)CCCCC.
What is the InChIKey of N-butyl-2-methyl-N-pentylprop-2-enamide?
The InChIKey is JRQRVWHOWRGRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-9-11-14(10-8-6-2)13(15)12(3)4/h3,5-11H2,1-2,4H3.
What are the key properties of N-butyl-2-methyl-N-pentylprop-2-enamide?
N-butyl-2-methyl-N-pentylprop-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.38, 8 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-pentylprop-2-enamide is sourced from PubChem (CID 87098831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).