benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate

C20H24N2O4 — CID 60595823

IUPACbenzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
SMILESCC(C)(C)c1ccc(O)c(NC(=O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)15-9-10-17(23)16(11-15)22-18(24)12-21-19(25)26-13-14-7-5-4-6-8-14/h4-11,23H,12-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJYPDKNAWCQLHGJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.55
Rot. Bonds5

About benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate

benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate (PubChem CID 60595823) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
PubChem CID60595823
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namebenzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
SMILESCC(C)(C)c1ccc(O)c(NC(=O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)15-9-10-17(23)16(11-15)22-18(24)12-21-19(25)26-13-14-7-5-4-6-8-14/h4-11,23H,12-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJYPDKNAWCQLHGJ-UHFFFAOYSA-N
XLogP3.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
CID 60596320
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl N-[4-(5-tert-butyl-2-hydroxyphenyl)but-3-enyl]carbamate
CID 170494610
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
tert-butyl (4R)-5-[4-hydroxy-3-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]phenyl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 135352959
benzyl N-[2-oxo-2-[2-(4,5,5-trimethyl-4-silyloxyhexan-2-yl)anilino]ethyl]carbamate
CID 149150728
calcium;bis(2-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate);dihydrate
CID 139088616

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate (CID 60595823) is benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate is CC(C)(C)c1ccc(O)c(NC(=O)CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate?
The InChIKey is JYPDKNAWCQLHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)15-9-10-17(23)16(11-15)22-18(24)12-21-19(25)26-13-14-7-5-4-6-8-14/h4-11,23H,12-13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 60595823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).