N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride

C29H31ClN2O — CID 45482455

IUPACN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride
SMILESCc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.Cl
InChIInChI=1S/C29H30N2O.ClH/c1-21-8-10-24(11-9-21)28(18-19-31(2)3)30-29(32)25-15-12-23(13-16-25)27-17-14-22-6-4-5-7-26(22)20-27;/h4-17,20,28H,18-19H2,1-3H3,(H,30,32);1H
InChIKeyYPBPFOQXTXODRC-UHFFFAOYSA-N
MW459.03 g/mol
LogP6.66
Rot. Bonds7

About N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride

N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride (PubChem CID 45482455) has the molecular formula C29H31ClN2O and a molecular weight of 459.03 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride
PubChem CID45482455
Molecular FormulaC29H31ClN2O
Molecular Weight459.03 g/mol
Exact Mass458.21
IUPAC NameN-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride
SMILESCc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.Cl
InChIInChI=1S/C29H30N2O.ClH/c1-21-8-10-24(11-9-21)28(18-19-31(2)3)30-29(32)25-15-12-23(13-16-25)27-17-14-22-6-4-5-7-26(22)20-27;/h4-17,20,28H,18-19H2,1-3H3,(H,30,32);1H
InChIKeyYPBPFOQXTXODRC-UHFFFAOYSA-N
XLogP6.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.03
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride (CID 45482455) is N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride is Cc1ccc(C(CCN(C)C)NC(=O)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
The InChIKey is YPBPFOQXTXODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O.ClH/c1-21-8-10-24(11-9-21)28(18-19-31(2)3)30-29(32)25-15-12-23(13-16-25)27-17-14-22-6-4-5-7-26(22)20-27;/h4-17,20,28H,18-19H2,1-3H3,(H,30,32);1H.
What are the key properties of N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride?
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride has a molecular weight of 459.03 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 45482455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).