2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid

C19H26N2O5 — CID 119246566

IUPAC2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)CNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C19H26N2O5/c22-17(10-14-5-2-1-3-6-14)21-12-18(23)20-11-15-7-4-8-16(9-15)26-13-19(24)25/h4,7-9,14H,1-3,5-6,10-13H2,(H,20,23)(H,21,22)(H,24,25)
InChIKeySUPLFGBPEROJIR-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.85
Rot. Bonds9

About 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid

2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid (PubChem CID 119246566) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
PubChem CID119246566
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)CNC(=O)CC2CCCCC2)c1
InChIInChI=1S/C19H26N2O5/c22-17(10-14-5-2-1-3-6-14)21-12-18(23)20-11-15-7-4-8-16(9-15)26-13-19(24)25/h4,7-9,14H,1-3,5-6,10-13H2,(H,20,23)(H,21,22)(H,24,25)
InChIKeySUPLFGBPEROJIR-UHFFFAOYSA-N
XLogP1.85
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]phenoxy]acetic acid
CID 119246413
2-[3-[[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246569
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-[[(1,1-dioxothiane-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120527385
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
2-[3-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]phenoxy]acetic acid
CID 70940444
3-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906141
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide
CID 75447392
2-[3-[[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]methyl]phenoxy]acetic acid
CID 125131693

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid (CID 119246566) is 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)CNC(=O)CC2CCCCC2)c1.
What is the InChIKey of 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is SUPLFGBPEROJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-17(10-14-5-2-1-3-6-14)21-12-18(23)20-11-15-7-4-8-16(9-15)26-13-19(24)25/h4,7-9,14H,1-3,5-6,10-13H2,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid?
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 362.43 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).