N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide

C32H34N2O — CID 126718734

IUPACN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide
SMILESCN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C32H34N2O/c1-33(2)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-34(32(35)28-10-4-3-5-11-28)31-14-8-12-27-9-6-7-13-30(27)31/h6-9,12-22,28H,3-5,10-11,23H2,1-2H3
InChIKeyBTNZXKXFMQTGAF-UHFFFAOYSA-N
MW462.64 g/mol
LogP7.69
Rot. Bonds6

About N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide

N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide (PubChem CID 126718734) has the molecular formula C32H34N2O and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide
PubChem CID126718734
Molecular FormulaC32H34N2O
Molecular Weight462.64 g/mol
Exact Mass462.27
IUPAC NameN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide
SMILESCN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C32H34N2O/c1-33(2)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-34(32(35)28-10-4-3-5-11-28)31-14-8-12-27-9-6-7-13-30(27)31/h6-9,12-22,28H,3-5,10-11,23H2,1-2H3
InChIKeyBTNZXKXFMQTGAF-UHFFFAOYSA-N
XLogP7.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide?
The IUPAC name of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide (CID 126718734) is N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide?
The canonical SMILES for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide is CN(C)c1ccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide?
The InChIKey is BTNZXKXFMQTGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O/c1-33(2)29-21-19-26(20-22-29)25-17-15-24(16-18-25)23-34(32(35)28-10-4-3-5-11-28)31-14-8-12-27-9-6-7-13-30(27)31/h6-9,12-22,28H,3-5,10-11,23H2,1-2H3.
What are the key properties of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide?
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide has a molecular weight of 462.64 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-naphthalen-1-ylcyclohexanecarboxamide is sourced from PubChem (CID 126718734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).