tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate

C20H26N2O3 — CID 54527689

IUPACtert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)25-19(23)22-14-13-21-17-9-11-18(12-10-17)24-15-16-7-5-4-6-8-16/h4-12,21H,13-15H2,1-3H3,(H,22,23)
InChIKeyYUGNZDOOLQCTCO-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.20
Rot. Bonds7

About tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate

tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate (PubChem CID 54527689) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
PubChem CID54527689
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nametert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)25-19(23)22-14-13-21-17-9-11-18(12-10-17)24-15-16-7-5-4-6-8-16/h4-12,21H,13-15H2,1-3H3,(H,22,23)
InChIKeyYUGNZDOOLQCTCO-UHFFFAOYSA-N
XLogP4.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
tert-butyl N-[2-[4-(cyanomethoxy)anilino]ethyl]carbamate
CID 115628902
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
tert-butyl N-[2-[4-[(Z)-1-(4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]phenoxy]ethyl]carbamate
CID 145199731
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
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate (CID 54527689) is tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate?
The InChIKey is YUGNZDOOLQCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)25-19(23)22-14-13-21-17-9-11-18(12-10-17)24-15-16-7-5-4-6-8-16/h4-12,21H,13-15H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate?
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate is sourced from PubChem (CID 54527689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).