2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid

C18H25N3O5 — CID 119231714

IUPAC2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N3O5/c1-12-9-14(26-11-17(23)24)7-8-15(12)21-16(22)10-19-18(25)20-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,21,22)(H,23,24)(H2,19,20,25)
InChIKeyVFHSMQGLALAMIK-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.03
Rot. Bonds7

About 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231714) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231714
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N3O5/c1-12-9-14(26-11-17(23)24)7-8-15(12)21-16(22)10-19-18(25)20-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,21,22)(H,23,24)(H2,19,20,25)
InChIKeyVFHSMQGLALAMIK-UHFFFAOYSA-N
XLogP2.03
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid with MolForge

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
2-[3-methyl-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 125120862
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
CID 119231823
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[3-methyl-4-[3-(oxan-4-yl)propanoylamino]phenoxy]acetic acid
CID 119231891
2-(cyclohexylcarbamoylamino)-N-(2,4-dichlorophenyl)acetamide
CID 113001281
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid (CID 119231714) is 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is VFHSMQGLALAMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-12-9-14(26-11-17(23)24)7-8-15(12)21-16(22)10-19-18(25)20-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,21,22)(H,23,24)(H2,19,20,25).
What are the key properties of 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(cyclohexylcarbamoylamino)acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).