[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid

C20H23N3O5 — CID 66622033

IUPAC[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)C(N)c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1
InChIInChI=1S/C20H23N3O5/c1-20(2,3)28-18(25)16(21)12-8-10-13(11-9-12)17(24)22-14-6-4-5-7-15(14)23-19(26)27/h4-11,16,23H,21H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyUFIITHUHTWUSMR-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.37
Rot. Bonds5

About [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid

[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid (PubChem CID 66622033) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
PubChem CID66622033
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid
SMILESCC(C)(C)OC(=O)C(N)c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1
InChIInChI=1S/C20H23N3O5/c1-20(2,3)28-18(25)16(21)12-8-10-13(11-9-12)17(24)22-14-6-4-5-7-15(14)23-19(26)27/h4-11,16,23H,21H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyUFIITHUHTWUSMR-UHFFFAOYSA-N
XLogP3.37
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid with MolForge

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Related Compounds

4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
CID 20786184
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
CID 174697637
CID 174697637
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
tert-butyl (2S)-2-(3-benzamido-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674951
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid (CID 66622033) is [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid is CC(C)(C)OC(=O)C(N)c1ccc(C(=O)Nc2ccccc2NC(=O)O)cc1.
What is the InChIKey of [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid?
The InChIKey is UFIITHUHTWUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-20(2,3)28-18(25)16(21)12-8-10-13(11-9-12)17(24)22-14-6-4-5-7-15(14)23-19(26)27/h4-11,16,23H,21H2,1-3H3,(H,22,24)(H,26,27).
What are the key properties of [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid?
[2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid has a molecular weight of 385.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 66622033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).