2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid

C20H29NO3 — CID 166380585

IUPAC2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
SMILESCc1cc(C)c(CC(=O)NCC2CCC(CC(=O)O)CC2)c(C)c1
InChIInChI=1S/C20H29NO3/c1-13-8-14(2)18(15(3)9-13)11-19(22)21-12-17-6-4-16(5-7-17)10-20(23)24/h8-9,16-17H,4-7,10-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMJVHMBJCAWMHGG-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.55
Rot. Bonds6

About 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid

2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid (PubChem CID 166380585) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
PubChem CID166380585
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
SMILESCc1cc(C)c(CC(=O)NCC2CCC(CC(=O)O)CC2)c(C)c1
InChIInChI=1S/C20H29NO3/c1-13-8-14(2)18(15(3)9-13)11-19(22)21-12-17-6-4-16(5-7-17)10-20(23)24/h8-9,16-17H,4-7,10-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMJVHMBJCAWMHGG-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106133711
N-[(4-bromocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106134544
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
CID 86787902
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767417
methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 129358755
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767416
2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride
CID 118342954
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid (CID 166380585) is 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid is Cc1cc(C)c(CC(=O)NCC2CCC(CC(=O)O)CC2)c(C)c1.
What is the InChIKey of 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid?
The InChIKey is MJVHMBJCAWMHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-13-8-14(2)18(15(3)9-13)11-19(22)21-12-17-6-4-16(5-7-17)10-20(23)24/h8-9,16-17H,4-7,10-12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid?
2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid has a molecular weight of 331.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 166380585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).