tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate

C20H23NO3 — CID 102422210

IUPACtert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
SMILESC=C(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO3/c1-15(16-9-7-6-8-10-16)21(19(22)24-20(2,3)4)17-11-13-18(23-5)14-12-17/h6-14H,1H2,2-5H3
InChIKeyLZKLESWVZUXWFC-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.11
Rot. Bonds4

About tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate

tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate (PubChem CID 102422210) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
PubChem CID102422210
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
SMILESC=C(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO3/c1-15(16-9-7-6-8-10-16)21(19(22)24-20(2,3)4)17-11-13-18(23-5)14-12-17/h6-14H,1H2,2-5H3
InChIKeyLZKLESWVZUXWFC-UHFFFAOYSA-N
XLogP5.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate
CID 102422207
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
tert-butyl N-[(1R)-2-hydroxy-4-methyl-1-phenylpent-3-enyl]-N-(4-methoxyphenyl)carbamate
CID 135021424
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
CID 164687395
tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
CID 102091617
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
CID 122213269
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzene
CID 135056470

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate (CID 102422210) is tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate is C=C(c1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate?
The InChIKey is LZKLESWVZUXWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(16-9-7-6-8-10-16)21(19(22)24-20(2,3)4)17-11-13-18(23-5)14-12-17/h6-14H,1H2,2-5H3.
What are the key properties of tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate?
tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate has a molecular weight of 325.41 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate is sourced from PubChem (CID 102422210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).