2-methyl-N-(pentoxymethyl)but-2-enamide

C11H21NO2 — CID 141202882

IUPAC2-methyl-N-(pentoxymethyl)but-2-enamide
SMILESCC=C(C)C(=O)NCOCCCCC
InChIInChI=1S/C11H21NO2/c1-4-6-7-8-14-9-12-11(13)10(3)5-2/h5H,4,6-9H2,1-3H3,(H,12,13)
InChIKeyCLHCYHLPXZKGLN-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-N-(pentoxymethyl)but-2-enamide

2-methyl-N-(pentoxymethyl)but-2-enamide (PubChem CID 141202882) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-N-(pentoxymethyl)but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(pentoxymethyl)but-2-enamide
PubChem CID141202882
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-N-(pentoxymethyl)but-2-enamide
SMILESCC=C(C)C(=O)NCOCCCCC
InChIInChI=1S/C11H21NO2/c1-4-6-7-8-14-9-12-11(13)10(3)5-2/h5H,4,6-9H2,1-3H3,(H,12,13)
InChIKeyCLHCYHLPXZKGLN-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(octadecoxymethyl)prop-2-enamide
CID 54316435
1,3-bis(hexoxymethyl)urea
CID 88804081
(Z)-N-butoxy-2-methylbut-2-enamide
CID 89103955
undecyl (E)-2-methylbut-2-enoate
CID 91701896
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
methyl 4-heptoxy-2-methylbut-2-enoate
CID 77074766
(E)-N-ethyl-2-methylnon-2-enamide
CID 87136870
N-methyl-1-pentoxymethanamine
CID 88850300
N-(pentoxymethyl)formamide
CID 174736393
1-hexadecoxypropan-2-one
CID 15701879
sodium;1-decoxydecane;acetate
CID 154928791
sodium;acetic acid;hydride;1-tridecoxytridecane
CID 173362445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pentoxymethyl)but-2-enamide?
The IUPAC name of 2-methyl-N-(pentoxymethyl)but-2-enamide (CID 141202882) is 2-methyl-N-(pentoxymethyl)but-2-enamide.
What is the SMILES notation for 2-methyl-N-(pentoxymethyl)but-2-enamide?
The canonical SMILES for 2-methyl-N-(pentoxymethyl)but-2-enamide is CC=C(C)C(=O)NCOCCCCC.
What is the InChIKey of 2-methyl-N-(pentoxymethyl)but-2-enamide?
The InChIKey is CLHCYHLPXZKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-7-8-14-9-12-11(13)10(3)5-2/h5H,4,6-9H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(pentoxymethyl)but-2-enamide?
2-methyl-N-(pentoxymethyl)but-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pentoxymethyl)but-2-enamide is sourced from PubChem (CID 141202882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).