tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate

C20H24N2O4 — CID 27758271

IUPACtert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-16-11-9-15(10-12-16)18(23)21-13-14-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGSIAOLXUVAHMNL-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.84
Rot. Bonds6

About tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate

tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate (PubChem CID 27758271) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
PubChem CID27758271
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-16-11-9-15(10-12-16)18(23)21-13-14-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGSIAOLXUVAHMNL-UHFFFAOYSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[4-(2-methylsulfanylethylcarbamoyl)phenyl]carbamate
CID 60666349
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
tert-butyl N-[3-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethoxy]phenyl]carbamate
CID 110613457
tert-butyl N-[4-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]phenyl]carbamate
CID 46423513
tert-butyl N-[4-[2-(propylamino)ethoxy]phenyl]carbamate
CID 107243405
benzyl N-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170563874
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate (CID 27758271) is tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate?
The InChIKey is GSIAOLXUVAHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-16-11-9-15(10-12-16)18(23)21-13-14-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate?
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 27758271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).