propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride

C22H25ClN2O2 — CID 73243186

IUPACpropyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride
SMILESCCCOC(=O)Nc1ccccc1/N=C1\CCCC1=Cc1ccccc1.Cl
InChIInChI=1S/C22H24N2O2.ClH/c1-2-15-26-22(25)24-21-13-7-6-12-20(21)23-19-14-8-11-18(19)16-17-9-4-3-5-10-17;/h3-7,9-10,12-13,16H,2,8,11,14-15H2,1H3,(H,24,25);1H/b18-16?,23-19+;
InChIKeyZAFVXIHORFEIND-MZJIFTAOSA-N
MW384.91 g/mol
LogP6.41
Rot. Bonds5

About propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride

propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride (PubChem CID 73243186) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Namepropyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride
PubChem CID73243186
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Namepropyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride
SMILESCCCOC(=O)Nc1ccccc1/N=C1\CCCC1=Cc1ccccc1.Cl
InChIInChI=1S/C22H24N2O2.ClH/c1-2-15-26-22(25)24-21-13-7-6-12-20(21)23-19-14-8-11-18(19)16-17-9-4-3-5-10-17;/h3-7,9-10,12-13,16H,2,8,11,14-15H2,1H3,(H,24,25);1H/b18-16?,23-19+;
InChIKeyZAFVXIHORFEIND-MZJIFTAOSA-N
XLogP6.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride?
The IUPAC name of propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride (CID 73243186) is propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride.
What is the SMILES notation for propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride?
The canonical SMILES for propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride is CCCOC(=O)Nc1ccccc1/N=C1\CCCC1=Cc1ccccc1.Cl.
What is the InChIKey of propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride?
The InChIKey is ZAFVXIHORFEIND-MZJIFTAOSA-N. The full InChI is InChI=1S/C22H24N2O2.ClH/c1-2-15-26-22(25)24-21-13-7-6-12-20(21)23-19-14-8-11-18(19)16-17-9-4-3-5-10-17;/h3-7,9-10,12-13,16H,2,8,11,14-15H2,1H3,(H,24,25);1H/b18-16?,23-19+;.
What are the key properties of propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride?
propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-[(2-benzylidenecyclopentylidene)amino]phenyl]carbamate;hydrochloride is sourced from PubChem (CID 73243186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).