triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride

C30H35ClN2O — CID 10648217

IUPACtriethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride
SMILESCC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1.[Cl-]
InChIInChI=1S/C30H34N2O.ClH/c1-4-32(5-2,6-3)22-23-12-18-29(19-13-23)31-30(33)27-17-15-25-14-16-26(20-28(25)21-27)24-10-8-7-9-11-24;/h7-14,16,18-21H,4-6,15,17,22H2,1-3H3;1H
InChIKeySIJBYUUYJLAHTP-UHFFFAOYSA-N
MW475.08 g/mol
LogP3.70
Rot. Bonds8

About triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride

triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride (PubChem CID 10648217) has the molecular formula C30H35ClN2O and a molecular weight of 475.08 g/mol. Its IUPAC name is triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride.

Molecular Properties

Compound Nametriethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride
PubChem CID10648217
Molecular FormulaC30H35ClN2O
Molecular Weight475.08 g/mol
Exact Mass474.24
IUPAC Nametriethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride
SMILESCC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1.[Cl-]
InChIInChI=1S/C30H34N2O.ClH/c1-4-32(5-2,6-3)22-23-12-18-29(19-13-23)31-30(33)27-17-15-25-14-16-26(20-28(25)21-27)24-10-8-7-9-11-24;/h7-14,16,18-21H,4-6,15,17,22H2,1-3H3;1H
InChIKeySIJBYUUYJLAHTP-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.08
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride?
The IUPAC name of triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride (CID 10648217) is triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride.
What is the SMILES notation for triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride?
The canonical SMILES for triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride is CC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1.[Cl-].
What is the InChIKey of triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride?
The InChIKey is SIJBYUUYJLAHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O.ClH/c1-4-32(5-2,6-3)22-23-12-18-29(19-13-23)31-30(33)27-17-15-25-14-16-26(20-28(25)21-27)24-10-8-7-9-11-24;/h7-14,16,18-21H,4-6,15,17,22H2,1-3H3;1H.
What are the key properties of triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride?
triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride has a molecular weight of 475.08 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl]azanium chloride is sourced from PubChem (CID 10648217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).