ethyl N-[benzyl(tert-butyl)amino]carbamate

C14H22N2O2 — CID 142916028

IUPACethyl N-[benzyl(tert-butyl)amino]carbamate
SMILESCCOC(=O)NN(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-13(17)15-16(14(2,3)4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,15,17)
InChIKeyJNQCWIANBIAJDT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.95
Rot. Bonds4

About ethyl N-[benzyl(tert-butyl)amino]carbamate

ethyl N-[benzyl(tert-butyl)amino]carbamate (PubChem CID 142916028) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl N-[benzyl(tert-butyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[benzyl(tert-butyl)amino]carbamate
PubChem CID142916028
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl N-[benzyl(tert-butyl)amino]carbamate
SMILESCCOC(=O)NN(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-13(17)15-16(14(2,3)4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,15,17)
InChIKeyJNQCWIANBIAJDT-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
benzene;ethyl N-benzylcarbamate
CID 67715166
diethyl 3-(dibenzylamino)-2,2-dimethylbutanedioate
CID 102464629
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-(dibenzylamino)-5,5-dimethyl-4-oxohexanoate
CID 102383366
(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
CID 134841276
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
ethyl 2-[[amino(benzyl)carbamoyl]amino]acetate
CID 13133641
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate
CID 102159157
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165

Frequently Asked Questions

What is the IUPAC name of ethyl N-[benzyl(tert-butyl)amino]carbamate?
The IUPAC name of ethyl N-[benzyl(tert-butyl)amino]carbamate (CID 142916028) is ethyl N-[benzyl(tert-butyl)amino]carbamate.
What is the SMILES notation for ethyl N-[benzyl(tert-butyl)amino]carbamate?
The canonical SMILES for ethyl N-[benzyl(tert-butyl)amino]carbamate is CCOC(=O)NN(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl N-[benzyl(tert-butyl)amino]carbamate?
The InChIKey is JNQCWIANBIAJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-13(17)15-16(14(2,3)4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,15,17).
What are the key properties of ethyl N-[benzyl(tert-butyl)amino]carbamate?
ethyl N-[benzyl(tert-butyl)amino]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[benzyl(tert-butyl)amino]carbamate is sourced from PubChem (CID 142916028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).