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

C23H45NO2 — CID 54316435

IUPAC2-methyl-N-(octadecoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCOCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-24-23(25)22(2)3/h2,4-21H2,1,3H3,(H,24,25)
InChIKeySONFXLWTKAOJMG-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.91
Rot. Bonds20

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

2-methyl-N-(octadecoxymethyl)prop-2-enamide (PubChem CID 54316435) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-methyl-N-(octadecoxymethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(octadecoxymethyl)prop-2-enamide
PubChem CID54316435
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Name2-methyl-N-(octadecoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCOCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-24-23(25)22(2)3/h2,4-21H2,1,3H3,(H,24,25)
InChIKeySONFXLWTKAOJMG-UHFFFAOYSA-N
XLogP6.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.91
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'}

Analyze 2-methyl-N-(octadecoxymethyl)prop-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

2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
1,3-bis(hexoxymethyl)urea
CID 88804081
2-methyl-N-(pentoxymethyl)but-2-enamide
CID 141202882
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(3-hexoxybutyl)-2-methylprop-2-enamide
CID 102118156
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-methyl-N-(2-pentoxybutyl)prop-2-enamide
CID 102118149
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
octatetracontyl 2-methylprop-2-enoate
CID 141233444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(octadecoxymethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(octadecoxymethyl)prop-2-enamide (CID 54316435) is 2-methyl-N-(octadecoxymethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(octadecoxymethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(octadecoxymethyl)prop-2-enamide is C=C(C)C(=O)NCOCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-(octadecoxymethyl)prop-2-enamide?
The InChIKey is SONFXLWTKAOJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-24-23(25)22(2)3/h2,4-21H2,1,3H3,(H,24,25).
What are the key properties of 2-methyl-N-(octadecoxymethyl)prop-2-enamide?
2-methyl-N-(octadecoxymethyl)prop-2-enamide has a molecular weight of 367.62 g/mol, XLogP of 6.91, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(octadecoxymethyl)prop-2-enamide is sourced from PubChem (CID 54316435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).