2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid

C15H22N2O4 — CID 63771357

IUPAC2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCC(CC)N(C)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-12(5-2)17(3)15(20)16-11-6-8-13(9-7-11)21-10-14(18)19/h6-9,12H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySRZANEUQVNTQCW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.80
Rot. Bonds7

About 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid

2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid (PubChem CID 63771357) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid
PubChem CID63771357
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid
SMILESCCC(CC)N(C)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-12(5-2)17(3)15(20)16-11-6-8-13(9-7-11)21-10-14(18)19/h6-9,12H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySRZANEUQVNTQCW-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-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid
CID 112640150
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
1-hydroxy-3-[4-[4-[[hydroxy(pentan-3-yl)carbamoyl]amino]phenoxy]phenyl]-1-pentan-3-ylurea
CID 15490931
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
2-[4-[2-(methylamino)propanoylamino]phenoxy]acetic acid
CID 63745547
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
2-(4-benzamidophenoxy)acetic acid
CID 3830392

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid (CID 63771357) is 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid is CCC(CC)N(C)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid?
The InChIKey is SRZANEUQVNTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-12(5-2)17(3)15(20)16-11-6-8-13(9-7-11)21-10-14(18)19/h6-9,12H,4-5,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid?
2-[4-[[methyl(pentan-3-yl)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-[4-[[methyl(pentan-3-yl)carbamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63771357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).