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

C20H23N3O5 — CID 55804923

IUPACtert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H23N3O5/c1-20(2,3)28-19(26)23-16-7-5-6-13(12-16)17(24)21-14-8-10-15(11-9-14)22-18(25)27-4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyARIFVMJUTWBKSR-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.46
Rot. Bonds4

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

tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate (PubChem CID 55804923) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
PubChem CID55804923
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nametert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H23N3O5/c1-20(2,3)28-19(26)23-16-7-5-6-13(12-16)17(24)21-14-8-10-15(11-9-14)22-18(25)27-4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyARIFVMJUTWBKSR-UHFFFAOYSA-N
XLogP4.46
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
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tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
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tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
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tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
methyl 5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 142617336
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
tert-butyl N-[3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55984007
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate (CID 55804923) is tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is ARIFVMJUTWBKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-20(2,3)28-19(26)23-16-7-5-6-13(12-16)17(24)21-14-8-10-15(11-9-14)22-18(25)27-4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 55804923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).