tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate

C15H23N3O3 — CID 108894237

IUPACtert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
SMILESCc1ccccc1NC(=O)N(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-11-7-5-6-8-12(11)17-13(19)18(10-9-16)14(20)21-15(2,3)4/h5-8H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyWIFFZOOMUPPSGI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate (PubChem CID 108894237) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
PubChem CID108894237
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
SMILESCc1ccccc1NC(=O)N(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-11-7-5-6-8-12(11)17-13(19)18(10-9-16)14(20)21-15(2,3)4/h5-8H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyWIFFZOOMUPPSGI-UHFFFAOYSA-N
XLogP2.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023
ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate
CID 108871651
tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
CID 108871353
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]carbamate
CID 108872024
tert-butyl N-(2-aminoethyl)-N-[(3,4-dimethylphenoxy)methylcarbamoyl]carbamate
CID 108879327
tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate
CID 108911610
tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate
CID 142869168
tert-butyl N-[(2-methylphenyl)methyl]-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 177409125
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
tert-butyl N-(2-aminoethyl)-N-[4-(hydroxymethyl)benzoyl]carbamate
CID 67919243
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate (CID 108894237) is tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate is Cc1ccccc1NC(=O)N(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate?
The InChIKey is WIFFZOOMUPPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-7-5-6-8-12(11)17-13(19)18(10-9-16)14(20)21-15(2,3)4/h5-8H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate is sourced from PubChem (CID 108894237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).