N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C24H33N3O2 — CID 60579651

IUPACN-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(CCN(C)C1CCCCC1)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H33N3O2/c1-26(21-12-4-3-5-13-21)15-16-27(2)24(29)18-25-23(28)17-20-11-8-10-19-9-6-7-14-22(19)20/h6-11,14,21H,3-5,12-13,15-18H2,1-2H3,(H,25,28)
InChIKeyZMDQPEWTXHPYQR-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.22
Rot. Bonds8

About N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 60579651) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID60579651
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(CCN(C)C1CCCCC1)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H33N3O2/c1-26(21-12-4-3-5-13-21)15-16-27(2)24(29)18-25-23(28)17-20-11-8-10-19-9-6-7-14-22(19)20/h6-11,14,21H,3-5,12-13,15-18H2,1-2H3,(H,25,28)
InChIKeyZMDQPEWTXHPYQR-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 60579651) is N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CN(CCN(C)C1CCCCC1)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ZMDQPEWTXHPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26(21-12-4-3-5-13-21)15-16-27(2)24(29)18-25-23(28)17-20-11-8-10-19-9-6-7-14-22(19)20/h6-11,14,21H,3-5,12-13,15-18H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 395.55 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 60579651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).