4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 120524552

IUPAC4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-14(22)21(12-11-15-5-3-2-4-6-15)13-18(23)20-17-9-7-16(8-10-17)19(24)25/h2-6,16-17H,7-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyRFFHZRPYJLHKCC-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.84
Rot. Bonds7

About 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120524552) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120524552
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-14(22)21(12-11-15-5-3-2-4-6-15)13-18(23)20-17-9-7-16(8-10-17)19(24)25/h2-6,16-17H,7-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyRFFHZRPYJLHKCC-UHFFFAOYSA-N
XLogP1.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 120521212
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide
CID 97103340
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530042
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117056
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid (CID 120524552) is 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid is CC(=O)N(CCc1ccccc1)CC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RFFHZRPYJLHKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(22)21(12-11-15-5-3-2-4-6-15)13-18(23)20-17-9-7-16(8-10-17)19(24)25/h2-6,16-17H,7-13H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).