2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid

C22H26N2O4 — CID 120545686

IUPAC2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CNC(=O)Cc2cccc3ccccc23)CCCCC1C(=O)O
InChIInChI=1S/C22H26N2O4/c1-22(12-5-4-11-18(22)21(27)28)24-20(26)14-23-19(25)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10,18H,4-5,11-14H2,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyYZYMNSFQUBVLEX-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds6

About 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120545686) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120545686
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1(NC(=O)CNC(=O)Cc2cccc3ccccc23)CCCCC1C(=O)O
InChIInChI=1S/C22H26N2O4/c1-22(12-5-4-11-18(22)21(27)28)24-20(26)14-23-19(25)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10,18H,4-5,11-14H2,1H3,(H,23,25)(H,24,26)(H,27,28)
InChIKeyYZYMNSFQUBVLEX-UHFFFAOYSA-N
XLogP2.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 110008754
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545609
N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 134037980
2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546195
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119620405
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid (CID 120545686) is 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid is CC1(NC(=O)CNC(=O)Cc2cccc3ccccc23)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YZYMNSFQUBVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-22(12-5-4-11-18(22)21(27)28)24-20(26)14-23-19(25)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10,18H,4-5,11-14H2,1H3,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).