N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide

C33H56N2O2 — CID 58297943

IUPACN-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCCCCCCC#CC#CCCCCCCCCCCCC
InChIInChI=1S/C33H56N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32(36)34-29-27-30-35-33(37)31(2)3/h2,4-14,19-30H2,1,3H3,(H,34,36)(H,35,37)
InChIKeyDGKYUEAFZKUXLM-UHFFFAOYSA-N
MW512.82 g/mol
LogP8.01
Rot. Bonds24

About N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide

N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide (PubChem CID 58297943) has the molecular formula C33H56N2O2 and a molecular weight of 512.82 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
PubChem CID58297943
Molecular FormulaC33H56N2O2
Molecular Weight512.82 g/mol
Exact Mass512.43
IUPAC NameN-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
SMILESC=C(C)C(=O)NCCCNC(=O)CCCCCCCCCC#CC#CCCCCCCCCCCCC
InChIInChI=1S/C33H56N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32(36)34-29-27-30-35-33(37)31(2)3/h2,4-14,19-30H2,1,3H3,(H,34,36)(H,35,37)
InChIKeyDGKYUEAFZKUXLM-UHFFFAOYSA-N
XLogP8.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.82
LogP ≤ 58.01
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide 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-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
N,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
N,N'-didecyldodeca-5,7-diynediamide
CID 88921625
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
7-[3-(2-methylprop-2-enoylamino)propylamino]-7-oxoheptanoic acid
CID 118143870
N-[2-(2-methoxyethoxy)ethyl]pentacosa-10,12-diynamide
CID 59079215
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[3-(2-methylprop-2-enoylamino)propyl]-10-sulfanyldecanamide
CID 118143798
N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
CID 141224382
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide?
The IUPAC name of N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide (CID 58297943) is N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide is C=C(C)C(=O)NCCCNC(=O)CCCCCCCCCC#CC#CCCCCCCCCCCCC.
What is the InChIKey of N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide?
The InChIKey is DGKYUEAFZKUXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32(36)34-29-27-30-35-33(37)31(2)3/h2,4-14,19-30H2,1,3H3,(H,34,36)(H,35,37).
What are the key properties of N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide?
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide has a molecular weight of 512.82 g/mol, XLogP of 8.01, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide is sourced from PubChem (CID 58297943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).