N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C26H32N2O2 — CID 55437775

IUPACN-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C26H32N2O2/c1-28(17-26-13-18-9-19(14-26)11-20(10-18)15-26)25(30)16-27-24(29)12-22-7-4-6-21-5-2-3-8-23(21)22/h2-8,18-20H,9-17H2,1H3,(H,27,29)
InChIKeyVOYOACZTFDKGLY-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.17
Rot. Bonds6

About N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55437775) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55437775
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C26H32N2O2/c1-28(17-26-13-18-9-19(14-26)11-20(10-18)15-26)25(30)16-27-24(29)12-22-7-4-6-21-5-2-3-8-23(21)22/h2-8,18-20H,9-17H2,1H3,(H,27,29)
InChIKeyVOYOACZTFDKGLY-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60579651
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7978653
2-(1-adamantyl)-N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 31215833
2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7601493
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9020477
[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 75669398
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670
2-(1-adamantyl)-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 7779910
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55437775) is N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is VOYOACZTFDKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-28(17-26-13-18-9-19(14-26)11-20(10-18)15-26)25(30)16-27-24(29)12-22-7-4-6-21-5-2-3-8-23(21)22/h2-8,18-20H,9-17H2,1H3,(H,27,29).
What are the key properties of N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 404.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-adamantylmethyl(methyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).