[(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate

C19H22N2O3 — CID 8003431

IUPAC[(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)O/N=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-11-9-14(10-12-15)13-20-24-18(22)21-16-7-5-6-8-17(16)23-4/h5-13H,1-4H3,(H,21,22)/b20-13-
InChIKeyQKBRSJGNRCPUFI-MOSHPQCFSA-N
MW326.40 g/mol
LogP4.58
Rot. Bonds4

About [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate

[(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate (PubChem CID 8003431) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate
PubChem CID8003431
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)O/N=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)15-11-9-14(10-12-15)13-20-24-18(22)21-16-7-5-6-8-17(16)23-4/h5-13H,1-4H3,(H,21,22)/b20-13-
InChIKeyQKBRSJGNRCPUFI-MOSHPQCFSA-N
XLogP4.58
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
N-[(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18860017
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
ethane;(2-methoxyphenyl)urea
CID 143063924
2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
CID 22287395
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
methyl (2S)-2-[(2-methoxyphenyl)carbamoyloxy]-2,3,3-trimethylbutanoate
CID 102497002
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate?
The IUPAC name of [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate (CID 8003431) is [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate?
The canonical SMILES for [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)O/N=C\c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate?
The InChIKey is QKBRSJGNRCPUFI-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)15-11-9-14(10-12-15)13-20-24-18(22)21-16-7-5-6-8-17(16)23-4/h5-13H,1-4H3,(H,21,22)/b20-13-.
What are the key properties of [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate?
[(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate has a molecular weight of 326.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-tert-butylphenyl)methylideneamino] N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 8003431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).