tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate

C18H26N2O3 — CID 47034144

IUPACtert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccccc1NC(=O)C1CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-5-20(17(22)23-18(2,3)4)12-14-8-6-7-9-15(14)19-16(21)13-10-11-13/h6-9,13H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyFOOVDOQSYWQSOK-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate

tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate (PubChem CID 47034144) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
PubChem CID47034144
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccccc1NC(=O)C1CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-5-20(17(22)23-18(2,3)4)12-14-8-6-7-9-15(14)19-16(21)13-10-11-13/h6-9,13H,5,10-12H2,1-4H3,(H,19,21)
InChIKeyFOOVDOQSYWQSOK-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate
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tert-butyl N-ethyl-N-[[2-(2-methylsulfanylpropanoylamino)phenyl]methyl]carbamate
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tert-butyl N-[[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]methyl]-N-ethylcarbamate
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1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
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tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
CID 55700391
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
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tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate (CID 47034144) is tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate is CCN(Cc1ccccc1NC(=O)C1CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate?
The InChIKey is FOOVDOQSYWQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-20(17(22)23-18(2,3)4)12-14-8-6-7-9-15(14)19-16(21)13-10-11-13/h6-9,13H,5,10-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate?
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate has a molecular weight of 318.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 47034144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).