tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate

C14H22N2O2 — CID 142774143

IUPACtert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate
SMILESCc1ccc(CN(N)C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-6-7-12(8-11(10)2)9-16(15)13(17)18-14(3,4)5/h6-8H,9,15H2,1-5H3
InChIKeyVZTHZYCXNVREMV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate

tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate (PubChem CID 142774143) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate
PubChem CID142774143
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate
SMILESCc1ccc(CN(N)C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-6-7-12(8-11(10)2)9-16(15)13(17)18-14(3,4)5/h6-8H,9,15H2,1-5H3
InChIKeyVZTHZYCXNVREMV-UHFFFAOYSA-N
XLogP2.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-amino-N-[(4-hydroxyphenyl)methyl]carbamate
CID 151301292
tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate
CID 170355765
tert-butyl N-[(4-bromo-3-methylphenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 70935034
tert-butyl N-amino-N-benzylcarbamate;tert-butyl N-benzyl-N-(2,3-dimethylanilino)carbamate
CID 158926814
3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
tert-butyl N-amino-N-(4-methyl-3-sulfanylphenyl)carbamate
CID 174627624
2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39379328
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
CID 142731266

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate (CID 142774143) is tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate is Cc1ccc(CN(N)C(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate?
The InChIKey is VZTHZYCXNVREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-12(8-11(10)2)9-16(15)13(17)18-14(3,4)5/h6-8H,9,15H2,1-5H3.
What are the key properties of tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate?
tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate is sourced from PubChem (CID 142774143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).