tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate

C15H23NO4 — CID 63790271

IUPACtert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(OC)c(C(C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-10(16-14(17)20-15(2,3)4)12-9-11(18-5)7-8-13(12)19-6/h7-10H,1-6H3,(H,16,17)
InChIKeyAWHACUUHUYIHLN-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate

tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate (PubChem CID 63790271) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
PubChem CID63790271
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(OC)c(C(C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H23NO4/c1-10(16-14(17)20-15(2,3)4)12-9-11(18-5)7-8-13(12)19-6/h7-10H,1-6H3,(H,16,17)
InChIKeyAWHACUUHUYIHLN-UHFFFAOYSA-N
XLogP3.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732147
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
tert-butyl N-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]carbamate
CID 24688569
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate (CID 63790271) is tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate is COc1ccc(OC)c(C(C)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate?
The InChIKey is AWHACUUHUYIHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(16-14(17)20-15(2,3)4)12-9-11(18-5)7-8-13(12)19-6/h7-10H,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate?
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 63790271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).