2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid

C15H22N2O4 — CID 61194737

IUPAC2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCCN(C(=O)Nc1cccc(OCC(=O)O)c1)C(C)C
InChIInChI=1S/C15H22N2O4/c1-4-8-17(11(2)3)15(20)16-12-6-5-7-13(9-12)21-10-14(18)19/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyHRDIBDNDSAYWFO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.80
Rot. Bonds7

About 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid

2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid (PubChem CID 61194737) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
PubChem CID61194737
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCCN(C(=O)Nc1cccc(OCC(=O)O)c1)C(C)C
InChIInChI=1S/C15H22N2O4/c1-4-8-17(11(2)3)15(20)16-12-6-5-7-13(9-12)21-10-14(18)19/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyHRDIBDNDSAYWFO-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
3-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340617
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-fluoro-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61193998
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
CID 119224874

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid (CID 61194737) is 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid is CCCN(C(=O)Nc1cccc(OCC(=O)O)c1)C(C)C.
What is the InChIKey of 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid?
The InChIKey is HRDIBDNDSAYWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-8-17(11(2)3)15(20)16-12-6-5-7-13(9-12)21-10-14(18)19/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid?
2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 61194737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).