tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate

C16H23NO3 — CID 169467402

IUPACtert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C16H23NO3/c1-12-11-13(8-9-14(12)19-5)7-6-10-17-15(18)20-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,18)
InChIKeyFVPDNJPNQNKDFC-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.54
Rot. Bonds4

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

tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169467402) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
PubChem CID169467402
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
SMILESCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C16H23NO3/c1-12-11-13(8-9-14(12)19-5)7-6-10-17-15(18)20-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,18)
InChIKeyFVPDNJPNQNKDFC-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
tert-butyl N-[4-(3-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490557
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
tert-butyl N-[3-(3-bromo-4-chlorophenyl)prop-2-enyl]carbamate
CID 169468558
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate (CID 169467402) is tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate is COc1ccc(C=CCNC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is FVPDNJPNQNKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-11-13(8-9-14(12)19-5)7-6-10-17-15(18)20-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.54, 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-3-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).