tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate

C15H23N3O3 — CID 108888023

IUPACtert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
SMILESCc1cccc(NC(=O)N(CCN)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11-6-5-7-12(10-11)17-13(19)18(9-8-16)14(20)21-15(2,3)4/h5-7,10H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyQCZPLNFXBILCNQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate (PubChem CID 108888023) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
PubChem CID108888023
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
SMILESCc1cccc(NC(=O)N(CCN)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11-6-5-7-12(10-11)17-13(19)18(9-8-16)14(20)21-15(2,3)4/h5-7,10H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyQCZPLNFXBILCNQ-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-[(3,4,5-trihydroxyphenyl)carbamoyl]carbamate
CID 108872024
tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
CID 108894237
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
tert-butyl N-(2-aminoethyl)-N-[(3,4,5-trimethoxyphenyl)carbamoyl]carbamate
CID 108866806
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
CID 108889283
tert-butyl N-(2-aminoethyl)-N-[(2-chloro-6-fluorophenyl)carbamoyl]carbamate
CID 108896714
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
benzyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)carbamoyl]amino]benzoate
CID 22411339
1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
CID 43137073
tert-butyl N-(2-aminoethyl)-N-[(3,4-dimethylphenoxy)methylcarbamoyl]carbamate
CID 108879327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate (CID 108888023) is tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate is Cc1cccc(NC(=O)N(CCN)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate?
The InChIKey is QCZPLNFXBILCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-6-5-7-12(10-11)17-13(19)18(9-8-16)14(20)21-15(2,3)4/h5-7,10H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[(3-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-[(3-methylphenyl)carbamoyl]carbamate is sourced from PubChem (CID 108888023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).