2-methyl-N-undec-10-enoxyprop-2-enamide

C15H27NO2 — CID 102118216

IUPAC2-methyl-N-undec-10-enoxyprop-2-enamide
SMILESC=CCCCCCCCCCONC(=O)C(=C)C
InChIInChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-12-13-18-16-15(17)14(2)3/h4H,1-2,5-13H2,3H3,(H,16,17)
InChIKeyYUIYEHYTBVFTIJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.92
Rot. Bonds12

About 2-methyl-N-undec-10-enoxyprop-2-enamide

2-methyl-N-undec-10-enoxyprop-2-enamide (PubChem CID 102118216) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-undec-10-enoxyprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-undec-10-enoxyprop-2-enamide
PubChem CID102118216
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-N-undec-10-enoxyprop-2-enamide
SMILESC=CCCCCCCCCCONC(=O)C(=C)C
InChIInChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-12-13-18-16-15(17)14(2)3/h4H,1-2,5-13H2,3H3,(H,16,17)
InChIKeyYUIYEHYTBVFTIJ-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-undec-10-enoxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide
CID 102118181
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
pentadec-14-enyl acetate
CID 87443745
nonadec-18-enyl acetate
CID 87443633
2-methyl-N-[(E)-pent-3-enoxy]prop-2-enamide
CID 102118170
hex-5-enyl acetate
CID 537536
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
bis(prop-2-enyl) propanedioate;deca-1,9-diene
CID 174429542
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
oct-7-enyl 2-methylpropanoate
CID 87633860
(Z)-4-hex-5-enoxy-2,3-dimethyl-4-oxobut-2-enoic acid
CID 175563353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-undec-10-enoxyprop-2-enamide?
The IUPAC name of 2-methyl-N-undec-10-enoxyprop-2-enamide (CID 102118216) is 2-methyl-N-undec-10-enoxyprop-2-enamide.
What is the SMILES notation for 2-methyl-N-undec-10-enoxyprop-2-enamide?
The canonical SMILES for 2-methyl-N-undec-10-enoxyprop-2-enamide is C=CCCCCCCCCCONC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-undec-10-enoxyprop-2-enamide?
The InChIKey is YUIYEHYTBVFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-12-13-18-16-15(17)14(2)3/h4H,1-2,5-13H2,3H3,(H,16,17).
What are the key properties of 2-methyl-N-undec-10-enoxyprop-2-enamide?
2-methyl-N-undec-10-enoxyprop-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-undec-10-enoxyprop-2-enamide is sourced from PubChem (CID 102118216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).