2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid

C19H26N2O4 — CID 119196837

IUPAC2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C19H26N2O4/c22-17(11-15-7-3-1-4-8-15)20-12-18(23)21(14-19(24)25)13-16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,20,22)(H,24,25)
InChIKeyHTAHALLARUIYOI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.19
Rot. Bonds8

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

2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid (PubChem CID 119196837) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid
PubChem CID119196837
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C19H26N2O4/c22-17(11-15-7-3-1-4-8-15)20-12-18(23)21(14-19(24)25)13-16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,20,22)(H,24,25)
InChIKeyHTAHALLARUIYOI-UHFFFAOYSA-N
XLogP2.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 120886231
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
CID 60619843

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid (CID 119196837) is 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid is O=C(O)CN(Cc1ccccc1)C(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid?
The InChIKey is HTAHALLARUIYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17(11-15-7-3-1-4-8-15)20-12-18(23)21(14-19(24)25)13-16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,20,22)(H,24,25).
What are the key properties of 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid?
2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[(2-cyclohexylacetyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 119196837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).