4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride

C23H29ClN2O — CID 24898306

IUPAC4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride
SMILESCN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22;/h2-5,8-12H,6-7,13-17,24H2,1H3;1H
InChIKeyDEKZAWRGNGHZKY-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.23
Rot. Bonds6

About 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride

4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride (PubChem CID 24898306) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride
PubChem CID24898306
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride
SMILESCN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN.Cl
InChIInChI=1S/C23H28N2O.ClH/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22;/h2-5,8-12H,6-7,13-17,24H2,1H3;1H
InChIKeyDEKZAWRGNGHZKY-UHFFFAOYSA-N
XLogP4.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Analyze 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride (CID 24898306) is 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride is CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride?
The InChIKey is DEKZAWRGNGHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.ClH/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22;/h2-5,8-12H,6-7,13-17,24H2,1H3;1H.
What are the key properties of 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride?
4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide;hydrochloride is sourced from PubChem (CID 24898306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).