4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid

C17H25NO4 — CID 66627623

IUPAC4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid
SMILESCC(C)(Cc1ccc(C(=O)O)cc1)NCC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-14(19)11-18-17(4,5)10-12-6-8-13(9-7-12)15(20)21/h6-9,18H,10-11H2,1-5H3,(H,20,21)
InChIKeyZJSZWENFLHPXJU-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.64
Rot. Bonds6

About 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid

4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid (PubChem CID 66627623) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid.

Molecular Properties

Compound Name4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid
PubChem CID66627623
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid
SMILESCC(C)(Cc1ccc(C(=O)O)cc1)NCC(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-14(19)11-18-17(4,5)10-12-6-8-13(9-7-12)15(20)21/h6-9,18H,10-11H2,1-5H3,(H,20,21)
InChIKeyZJSZWENFLHPXJU-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid with MolForge

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Related Compounds

4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 115571935
4-[[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]benzoic acid
CID 122033290
tert-butyl (2S)-2-(benzylamino)-3-(4-hydroxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 140980460
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
CID 17157155
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoic acid
CID 107241445
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid?
The IUPAC name of 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid (CID 66627623) is 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid.
What is the SMILES notation for 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid?
The canonical SMILES for 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid is CC(C)(Cc1ccc(C(=O)O)cc1)NCC(=O)OC(C)(C)C.
What is the InChIKey of 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid?
The InChIKey is ZJSZWENFLHPXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)22-14(19)11-18-17(4,5)10-12-6-8-13(9-7-12)15(20)21/h6-9,18H,10-11H2,1-5H3,(H,20,21).
What are the key properties of 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid?
4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid is sourced from PubChem (CID 66627623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).