tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate

C14H20N2O2 — CID 9074489

IUPACtert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1ccccc1C
InChIInChI=1S/C14H20N2O2/c1-10-8-6-7-9-12(10)11(2)15-16-13(17)18-14(3,4)5/h6-9H,1-5H3,(H,16,17)/b15-11-
InChIKeyWXWPKPIWLHAKFR-PTNGSMBKSA-N
MW248.33 g/mol
LogP3.24
Rot. Bonds2

About tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate

tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate (PubChem CID 9074489) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
PubChem CID9074489
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
SMILESC/C(=N/NC(=O)OC(C)(C)C)c1ccccc1C
InChIInChI=1S/C14H20N2O2/c1-10-8-6-7-9-12(10)11(2)15-16-13(17)18-14(3,4)5/h6-9H,1-5H3,(H,16,17)/b15-11-
InChIKeyWXWPKPIWLHAKFR-PTNGSMBKSA-N
XLogP3.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
CID 9074784
tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
CID 3874602
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
tert-butyl N-[(Z)-1-(4-methylphenyl)propylideneamino]carbamate
CID 9074587
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate (CID 9074489) is tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate is C/C(=N/NC(=O)OC(C)(C)C)c1ccccc1C.
What is the InChIKey of tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
The InChIKey is WXWPKPIWLHAKFR-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-6-7-9-12(10)11(2)15-16-13(17)18-14(3,4)5/h6-9H,1-5H3,(H,16,17)/b15-11-.
What are the key properties of tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate has a molecular weight of 248.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 9074489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).