methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate

C20H23NO4 — CID 15675243

IUPACmethyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate
SMILESC=CC(C)c1c(NC(=O)OC)ccc(OCc2ccccc2)c1OC
InChIInChI=1S/C20H23NO4/c1-5-14(2)18-16(21-20(22)24-4)11-12-17(19(18)23-3)25-13-15-9-7-6-8-10-15/h5-12,14H,1,13H2,2-4H3,(H,21,22)
InChIKeyGTIATIRLWKXEMV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.74
Rot. Bonds7

About methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate

methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate (PubChem CID 15675243) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate
PubChem CID15675243
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate
SMILESC=CC(C)c1c(NC(=O)OC)ccc(OCc2ccccc2)c1OC
InChIInChI=1S/C20H23NO4/c1-5-14(2)18-16(21-20(22)24-4)11-12-17(19(18)23-3)25-13-15-9-7-6-8-10-15/h5-12,14H,1,13H2,2-4H3,(H,21,22)
InChIKeyGTIATIRLWKXEMV-UHFFFAOYSA-N
XLogP4.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-(2-methoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2943604
2-[[2-(2-butan-2-ylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4963837
5-Isopropyl-2-methylphenyl N-(4-methoxyphenyl)carbamate
CID 303325
9-(2-Ethoxy-phenyl)-2,3,8,9-tetrahydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 644407
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-isopropylphenyl)acrylamide
CID 6187443
3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methylhex-2-enamide
CID 10309581
4-(4-Ethoxy-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2942971
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 674928
9-phenyl-2H,3H-[1,4]dioxino[2,3-g]quinolin-7-ol
CID 723252
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide
CID 732520
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734190
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenoxy)acetamide
CID 759618

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate?
The IUPAC name of methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate (CID 15675243) is methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate?
The canonical SMILES for methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate is C=CC(C)c1c(NC(=O)OC)ccc(OCc2ccccc2)c1OC.
What is the InChIKey of methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate?
The InChIKey is GTIATIRLWKXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-14(2)18-16(21-20(22)24-4)11-12-17(19(18)23-3)25-13-15-9-7-6-8-10-15/h5-12,14H,1,13H2,2-4H3,(H,21,22).
What are the key properties of methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate?
methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-but-3-en-2-yl-3-methoxy-4-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 15675243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).