2-methyl-N-(4-pentoxybutyl)prop-2-enamide

C13H25NO2 — CID 102118160

IUPAC2-methyl-N-(4-pentoxybutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCOCCCCC
InChIInChI=1S/C13H25NO2/c1-4-5-7-10-16-11-8-6-9-14-13(15)12(2)3/h2,4-11H2,1,3H3,(H,14,15)
InChIKeyRFAWKOMWUFWHIO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.67
Rot. Bonds10

About 2-methyl-N-(4-pentoxybutyl)prop-2-enamide

2-methyl-N-(4-pentoxybutyl)prop-2-enamide (PubChem CID 102118160) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-N-(4-pentoxybutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-pentoxybutyl)prop-2-enamide
PubChem CID102118160
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-N-(4-pentoxybutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCCCOCCCCC
InChIInChI=1S/C13H25NO2/c1-4-5-7-10-16-11-8-6-9-14-13(15)12(2)3/h2,4-11H2,1,3H3,(H,14,15)
InChIKeyRFAWKOMWUFWHIO-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.67
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-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
N-(3-hexoxybutyl)-2-methylprop-2-enamide
CID 102118156
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pentoxybutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-pentoxybutyl)prop-2-enamide (CID 102118160) is 2-methyl-N-(4-pentoxybutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-pentoxybutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-pentoxybutyl)prop-2-enamide is C=C(C)C(=O)NCCCCOCCCCC.
What is the InChIKey of 2-methyl-N-(4-pentoxybutyl)prop-2-enamide?
The InChIKey is RFAWKOMWUFWHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-7-10-16-11-8-6-9-14-13(15)12(2)3/h2,4-11H2,1,3H3,(H,14,15).
What are the key properties of 2-methyl-N-(4-pentoxybutyl)prop-2-enamide?
2-methyl-N-(4-pentoxybutyl)prop-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pentoxybutyl)prop-2-enamide is sourced from PubChem (CID 102118160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).