tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate

C15H24N2O4 — CID 24688569

IUPACtert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(C(CN)NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-12(9-16)11-7-6-10(19-4)8-13(11)20-5/h6-8,12H,9,16H2,1-5H3,(H,17,18)
InChIKeyZGJAIJXWRLTOKZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.23
Rot. Bonds5

About tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate

tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate (PubChem CID 24688569) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
PubChem CID24688569
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(C(CN)NC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-12(9-16)11-7-6-10(19-4)8-13(11)20-5/h6-8,12H,9,16H2,1-5H3,(H,17,18)
InChIKeyZGJAIJXWRLTOKZ-UHFFFAOYSA-N
XLogP2.23
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176320
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate
CID 131741216
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
[4-[2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyloxy]-3-methoxyphenyl] 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 172728689
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7010139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate (CID 24688569) is tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate is COc1ccc(C(CN)NC(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate?
The InChIKey is ZGJAIJXWRLTOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-12(9-16)11-7-6-10(19-4)8-13(11)20-5/h6-8,12H,9,16H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 24688569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).