2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid

C20H23NO4 — CID 119186656

IUPAC2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
SMILESCCC(Cc1ccccc1)N(C)C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-3-17(12-15-8-5-4-6-9-15)21(2)20(24)16-10-7-11-18(13-16)25-14-19(22)23/h4-11,13,17H,3,12,14H2,1-2H3,(H,22,23)
InChIKeyGOZWSPZPHSEUFF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.24
Rot. Bonds8

About 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid

2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 119186656) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
PubChem CID119186656
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
SMILESCCC(Cc1ccccc1)N(C)C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-3-17(12-15-8-5-4-6-9-15)21(2)20(24)16-10-7-11-18(13-16)25-14-19(22)23/h4-11,13,17H,3,12,14H2,1-2H3,(H,22,23)
InChIKeyGOZWSPZPHSEUFF-UHFFFAOYSA-N
XLogP3.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
CID 119179589
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
[(2S)-2-(dimethylamino)-3-phenylpropyl] 3-butoxybenzoate
CID 71130214
(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
CID 169025333
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
CID 54856661
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 120691893

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid (CID 119186656) is 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid is CCC(Cc1ccccc1)N(C)C(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is GOZWSPZPHSEUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-17(12-15-8-5-4-6-9-15)21(2)20(24)16-10-7-11-18(13-16)25-14-19(22)23/h4-11,13,17H,3,12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid?
2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119186656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).