tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate

C16H25NO4 — CID 142979716

IUPACtert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)OC(C)(C)C)c(C)c1OC
InChIInChI=1S/C16H25NO4/c1-11-12(7-8-13(19-5)14(11)20-6)9-10-17-15(18)21-16(2,3)4/h7-8H,9-10H2,1-6H3,(H,17,18)
InChIKeyPHSUVYLIBDAPIS-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.08
Rot. Bonds5

About tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate

tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate (PubChem CID 142979716) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
PubChem CID142979716
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)OC(C)(C)C)c(C)c1OC
InChIInChI=1S/C16H25NO4/c1-11-12(7-8-13(19-5)14(11)20-6)9-10-17-15(18)21-16(2,3)4/h7-8H,9-10H2,1-6H3,(H,17,18)
InChIKeyPHSUVYLIBDAPIS-UHFFFAOYSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4,5-dimethoxy-2,3-bis(sulfanyl)phenyl]ethyl]carbamate
CID 11420477
tert-butyl N-[2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103740129
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128091
tert-butyl 4,7-dimethoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-1-carboxylate
CID 15540749
tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
CID 142472796
methyl 2,3-dimethoxy-6-[(E)-2-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-benzodioxol-5-yl]ethenyl]benzoate
CID 155681617
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 167345934
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
tert-butyl N-[(2-chloro-3,4-dimethoxyphenyl)methylamino]carbamate
CID 107236645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate (CID 142979716) is tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate is COc1ccc(CCNC(=O)OC(C)(C)C)c(C)c1OC.
What is the InChIKey of tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate?
The InChIKey is PHSUVYLIBDAPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11-12(7-8-13(19-5)14(11)20-6)9-10-17-15(18)21-16(2,3)4/h7-8H,9-10H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate?
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 142979716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).