propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 720636

IUPACpropan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
SMILESCc1cccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C
InChIInChI=1S/C20H23NO4/c1-13(2)25-20(23)16-8-10-17(11-9-16)21-19(22)12-24-18-7-5-6-14(3)15(18)4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyNHBDDDSGSXMWRW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds6

About propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate

propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate (PubChem CID 720636) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
PubChem CID720636
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
SMILESCc1cccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C
InChIInChI=1S/C20H23NO4/c1-13(2)25-20(23)16-8-10-17(11-9-16)21-19(22)12-24-18-7-5-6-14(3)15(18)4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyNHBDDDSGSXMWRW-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 720608
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 959330

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate (CID 720636) is propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate is Cc1cccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C.
What is the InChIKey of propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
The InChIKey is NHBDDDSGSXMWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)25-20(23)16-8-10-17(11-9-16)21-19(22)12-24-18-7-5-6-14(3)15(18)4/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 720636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).