2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid

C18H24N2O4 — CID 119224346

IUPAC2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16(19-12-18(23)24)10-14-6-8-15(9-7-14)20-17(22)11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyWVTIHVWXXKKLAU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.34
Rot. Bonds7

About 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224346) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224346
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16(19-12-18(23)24)10-14-6-8-15(9-7-14)20-17(22)11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyWVTIHVWXXKKLAU-UHFFFAOYSA-N
XLogP2.34
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029
N-[4-[(2-cyclohexylacetyl)amino]phenyl]furan-2-carboxamide
CID 30783674

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid (CID 119224346) is 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)CC2CCCCC2)cc1.
What is the InChIKey of 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is WVTIHVWXXKKLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(19-12-18(23)24)10-14-6-8-15(9-7-14)20-17(22)11-13-4-2-1-3-5-13/h6-9,13H,1-5,10-12H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).