tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate

C19H24N2O3 — CID 122213269

IUPACtert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
SMILESCOc1ccc(N(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)20-21(14-15-8-6-5-7-9-15)16-10-12-17(23-4)13-11-16/h5-13H,14H2,1-4H3,(H,20,22)
InChIKeySRHYOIJYAMIRHS-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate

tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate (PubChem CID 122213269) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
PubChem CID122213269
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
SMILESCOc1ccc(N(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)20-21(14-15-8-6-5-7-9-15)16-10-12-17(23-4)13-11-16/h5-13H,14H2,1-4H3,(H,20,22)
InChIKeySRHYOIJYAMIRHS-UHFFFAOYSA-N
XLogP4.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(N-benzyl-4-fluoroanilino)carbamate
CID 122213267
tert-butyl N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-4-phenylbutan-2-yl]carbamate;molecular hydrogen
CID 144836107
tert-butyl N-[6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-2-yl]carbamate
CID 175048380
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
tert-butyl N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 146265928
tert-butyl N-[benzyl(2,2-dimethylbutanoyl)amino]carbamate
CID 178067850
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
benzylsulfanyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamic acid
CID 156714198
[(2S)-1-(N-benzyl-4-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-tert-butylcarbamic acid
CID 118037797
(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
3-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylpropanoic acid
CID 164888535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate?
The IUPAC name of tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate (CID 122213269) is tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate.
What is the SMILES notation for tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate?
The canonical SMILES for tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate is COc1ccc(N(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate?
The InChIKey is SRHYOIJYAMIRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)20-21(14-15-8-6-5-7-9-15)16-10-12-17(23-4)13-11-16/h5-13H,14H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate?
tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate has a molecular weight of 328.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate is sourced from PubChem (CID 122213269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).