N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide

C21H43N3O — CID 118567429

IUPACN-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)CCCCCCCCCCCCN(C)C
InChIInChI=1S/C21H43N3O/c1-5-21(25)22-17-16-20-24(4)19-15-13-11-9-7-6-8-10-12-14-18-23(2)3/h5H,1,6-20H2,2-4H3,(H,22,25)
InChIKeyCVGKKPDONMAWJP-UHFFFAOYSA-N
MW353.60 g/mol
LogP4.07
Rot. Bonds18

About N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide

N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide (PubChem CID 118567429) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
PubChem CID118567429
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC NameN-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)CCCCCCCCCCCCN(C)C
InChIInChI=1S/C21H43N3O/c1-5-21(25)22-17-16-20-24(4)19-15-13-11-9-7-6-8-10-12-14-18-23(2)3/h5H,1,6-20H2,2-4H3,(H,22,25)
InChIKeyCVGKKPDONMAWJP-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]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

N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577

Frequently Asked Questions

What is the IUPAC name of N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide (CID 118567429) is N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide is C=CC(=O)NCCCN(C)CCCCCCCCCCCCN(C)C.
What is the InChIKey of N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide?
The InChIKey is CVGKKPDONMAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3O/c1-5-21(25)22-17-16-20-24(4)19-15-13-11-9-7-6-8-10-12-14-18-23(2)3/h5H,1,6-20H2,2-4H3,(H,22,25).
What are the key properties of N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide?
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide has a molecular weight of 353.60 g/mol, XLogP of 4.07, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide is sourced from PubChem (CID 118567429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).