tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate

C13H18N2O3 — CID 82480855

IUPACtert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
SMILESCOc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-11(14)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyFXIHAAMXEMAVDG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.34
Rot. Bonds2

About tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate

tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate (PubChem CID 82480855) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
PubChem CID82480855
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate
SMILESCOc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-11(14)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyFXIHAAMXEMAVDG-UHFFFAOYSA-N
XLogP2.34
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate
CID 82480274
tert-butyl N-[amino-[4-(3-bromopropoxy)phenyl]methylidene]carbamate
CID 165083505
tert-butyl N-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 56604348
tert-butyl N-[[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 57363286
3-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoic acid
CID 44890914
(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
tert-butyl N-[amino-[4-[2-(4-nitrophenoxy)ethyl]phenyl]methylidene]carbamate
CID 57198393
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7057020

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate (CID 82480855) is tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate is COc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate?
The InChIKey is FXIHAAMXEMAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-11(14)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16).
What are the key properties of tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate?
tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[amino-(4-methoxyphenyl)methylidene]carbamate is sourced from PubChem (CID 82480855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).