N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide

C23H24ClN3O2 — CID 18589351

IUPACN-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C23H24ClN3O2/c1-27(2)21(19-12-7-10-16-8-3-5-11-18(16)19)15-26-23(29)22(28)25-14-17-9-4-6-13-20(17)24/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYRKNOWPNBXUQSV-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.53
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide (PubChem CID 18589351) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
PubChem CID18589351
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
SMILESCN(C)C(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C23H24ClN3O2/c1-27(2)21(19-12-7-10-16-8-3-5-11-18(16)19)15-26-23(29)22(28)25-14-17-9-4-6-13-20(17)24/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYRKNOWPNBXUQSV-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide (CID 18589351) is N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide is CN(C)C(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The InChIKey is YRKNOWPNBXUQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-27(2)21(19-12-7-10-16-8-3-5-11-18(16)19)15-26-23(29)22(28)25-14-17-9-4-6-13-20(17)24/h3-13,21H,14-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide has a molecular weight of 409.92 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide is sourced from PubChem (CID 18589351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).