methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate

C15H22N2O4 — CID 155963850

IUPACmethyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
SMILESCOC(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-13(18)16-10-11-17(14(19)20-4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,18)
InChIKeyUSGHWEZDDZFPPA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.78
Rot. Bonds4

About methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate

methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate (PubChem CID 155963850) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
PubChem CID155963850
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
SMILESCOC(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-13(18)16-10-11-17(14(19)20-4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,18)
InChIKeyUSGHWEZDDZFPPA-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2,2,3,3,3-pentafluoropropoxycarbonylamino)ethyl]-N-phenylcarbamate
CID 54397769
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
tert-butyl N-[2-(N-acetyl-4-cyanoanilino)ethyl]carbamate
CID 113064370
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate?
The IUPAC name of methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate (CID 155963850) is methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate.
What is the SMILES notation for methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate?
The canonical SMILES for methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate is COC(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate?
The InChIKey is USGHWEZDDZFPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-13(18)16-10-11-17(14(19)20-4)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,18).
What are the key properties of methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate?
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate has a molecular weight of 294.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate is sourced from PubChem (CID 155963850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).