tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate

C17H25NO3 — CID 169467818

IUPACtert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(C)c(C=CCNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C17H25NO3/c1-12-10-14(20-6)11-13(2)15(12)8-7-9-18-16(19)21-17(3,4)5/h7-8,10-11H,9H2,1-6H3,(H,18,19)
InChIKeyKOOZEUNBNOIBAC-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate (PubChem CID 169467818) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
PubChem CID169467818
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(C)c(C=CCNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C17H25NO3/c1-12-10-14(20-6)11-13(2)15(12)8-7-9-18-16(19)21-17(3,4)5/h7-8,10-11H,9H2,1-6H3,(H,18,19)
InChIKeyKOOZEUNBNOIBAC-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3-amino-5-methoxyphenyl)prop-2-enyl]carbamate
CID 169467584
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729
2-[4-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetic acid
CID 169468368
tert-butyl N-[3-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
tert-butyl N-[3-(4-bromo-2,6-difluorophenyl)prop-2-enyl]carbamate
CID 169468584
tert-butyl N-[3-(5-fluoro-2-hydroxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169468695
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[3-(4-methoxy-2-nitrophenyl)prop-2-enyl]carbamate
CID 169468181
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate (CID 169467818) is tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate is COc1cc(C)c(C=CCNC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
The InChIKey is KOOZEUNBNOIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-10-14(20-6)11-13(2)15(12)8-7-9-18-16(19)21-17(3,4)5/h7-8,10-11H,9H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).