2-methyl-N-(2-pentoxybutyl)prop-2-enamide

C13H25NO2 — CID 102118149

IUPAC2-methyl-N-(2-pentoxybutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(CC)OCCCCC
InChIInChI=1S/C13H25NO2/c1-5-7-8-9-16-12(6-2)10-14-13(15)11(3)4/h12H,3,5-10H2,1-2,4H3,(H,14,15)
InChIKeyGUJGALCHENQUMJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.66
Rot. Bonds9

About 2-methyl-N-(2-pentoxybutyl)prop-2-enamide

2-methyl-N-(2-pentoxybutyl)prop-2-enamide (PubChem CID 102118149) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-N-(2-pentoxybutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-pentoxybutyl)prop-2-enamide
PubChem CID102118149
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-N-(2-pentoxybutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(CC)OCCCCC
InChIInChI=1S/C13H25NO2/c1-5-7-8-9-16-12(6-2)10-14-13(15)11(3)4/h12H,3,5-10H2,1-2,4H3,(H,14,15)
InChIKeyGUJGALCHENQUMJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-hexoxybutyl)-2-methylprop-2-enamide
CID 102118156
N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide
CID 142381966
2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
[6-[1,3-bis(2-methylprop-2-enoylamino)propan-2-yloxy]-1-phosphonooxyhexyl]phosphonic acid
CID 131972714
N-[(2R)-2,3-di(tetradecoxy)propyl]-2-oxohexadecanamide
CID 10700160
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
N-(3-hydroxy-2-pentoxypropyl)hexanamide
CID 11832137
N-ethyl-2-octoxybutan-1-amine
CID 62456263
1-pentan-3-yloxydecane
CID 173279604
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pentoxybutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-pentoxybutyl)prop-2-enamide (CID 102118149) is 2-methyl-N-(2-pentoxybutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-pentoxybutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-pentoxybutyl)prop-2-enamide is C=C(C)C(=O)NCC(CC)OCCCCC.
What is the InChIKey of 2-methyl-N-(2-pentoxybutyl)prop-2-enamide?
The InChIKey is GUJGALCHENQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-7-8-9-16-12(6-2)10-14-13(15)11(3)4/h12H,3,5-10H2,1-2,4H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-pentoxybutyl)prop-2-enamide?
2-methyl-N-(2-pentoxybutyl)prop-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pentoxybutyl)prop-2-enamide is sourced from PubChem (CID 102118149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).