tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate

C21H24N2O3 — CID 89027172

IUPACtert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate
SMILESC=Cc1cc(C)cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H24N2O3/c1-6-15-11-14(2)12-16(13-15)19(24)22-17-9-7-8-10-18(17)23-20(25)26-21(3,4)5/h6-13H,1H2,2-5H3,(H,22,24)(H,23,25)
InChIKeyTWOKLOAKWBJTJS-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.24
Rot. Bonds4

About tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate

tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate (PubChem CID 89027172) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate
PubChem CID89027172
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate
SMILESC=Cc1cc(C)cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H24N2O3/c1-6-15-11-14(2)12-16(13-15)19(24)22-17-9-7-8-10-18(17)23-20(25)26-21(3,4)5/h6-13H,1H2,2-5H3,(H,22,24)(H,23,25)
InChIKeyTWOKLOAKWBJTJS-UHFFFAOYSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917372
tert-butyl N-[2-[[3-(hydroxymethyl)-5-methoxybenzoyl]amino]phenyl]carbamate
CID 67116705
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092
tert-butyl N-[2-[[4-(1-hydroxypropyl)benzoyl]amino]phenyl]carbamate
CID 20786184
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
tert-butyl N-[2-[[4-[3-[(4-methylphenyl)sulfonylamino]prop-1-enyl]benzoyl]amino]phenyl]carbamate
CID 86602774
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
CID 170985606
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate (CID 89027172) is tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate is C=Cc1cc(C)cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate?
The InChIKey is TWOKLOAKWBJTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-6-15-11-14(2)12-16(13-15)19(24)22-17-9-7-8-10-18(17)23-20(25)26-21(3,4)5/h6-13H,1H2,2-5H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate?
tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-ethenyl-5-methylbenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 89027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).