tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate

C15H22N2O3 — CID 167260960

IUPACtert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-10-11-17(4)13(18)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,19)
InChIKeySVZDWQAKJWQFOY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.28
Rot. Bonds4

About tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate

tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate (PubChem CID 167260960) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
PubChem CID167260960
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-10-11-17(4)13(18)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,19)
InChIKeySVZDWQAKJWQFOY-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
CID 69441199
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
N-(2-aminoethyl)-N-methylbenzamide
CID 28707416
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate (CID 167260960) is tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate is CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate?
The InChIKey is SVZDWQAKJWQFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)16-10-11-17(4)13(18)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate?
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 167260960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).