tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate

C23H23N3O4 — CID 157042654

IUPACtert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c1
InChIInChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)26-17-7-4-6-16(14-17)21(27)25-18-8-5-9-20(15-18)29-19-10-12-24-13-11-19/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyAXHMRSJJRUKQFH-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.47
Rot. Bonds5

About tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate

tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate (PubChem CID 157042654) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
PubChem CID157042654
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nametert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c1
InChIInChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)26-17-7-4-6-16(14-17)21(27)25-18-8-5-9-20(15-18)29-19-10-12-24-13-11-19/h4-15H,1-3H3,(H,25,27)(H,26,28)
InChIKeyAXHMRSJJRUKQFH-UHFFFAOYSA-N
XLogP5.47
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate (CID 157042654) is tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c1.
What is the InChIKey of tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is AXHMRSJJRUKQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-23(2,3)30-22(28)26-17-7-4-6-16(14-17)21(27)25-18-8-5-9-20(15-18)29-19-10-12-24-13-11-19/h4-15H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 405.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 157042654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).