[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate

C20H23NO5 — CID 22095150

IUPAC[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
SMILESCCOc1cc(COC(=O)Nc2ccc(C)cc2)ccc1C1OCCO1
InChIInChI=1S/C20H23NO5/c1-3-23-18-12-15(6-9-17(18)19-24-10-11-25-19)13-26-20(22)21-16-7-4-14(2)5-8-16/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22)
InChIKeyXDIFKHBOQWJCMW-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.19
Rot. Bonds6

About [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate

[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate (PubChem CID 22095150) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
PubChem CID22095150
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
SMILESCCOc1cc(COC(=O)Nc2ccc(C)cc2)ccc1C1OCCO1
InChIInChI=1S/C20H23NO5/c1-3-23-18-12-15(6-9-17(18)19-24-10-11-25-19)13-26-20(22)21-16-7-4-14(2)5-8-16/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22)
InChIKeyXDIFKHBOQWJCMW-UHFFFAOYSA-N
XLogP4.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-dioxolan-2-yl)-2,5-dimethoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-5-hydroxy-2-methoxyphenyl]methyl N-(4-methylphenyl)carbamate;[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-(4-methylphenyl)carbamate;[2-(1,3-dioxolan-2-yl)-4-methoxy-5-[(4-methylphenyl)carbamoyloxymethyl]phenyl] acetate
CID 90844140
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
CID 169175352
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095153
(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
CID 171824401
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
(3,4-dimethoxyphenyl)methyl N-[4-[[4-[(3,4-dimethoxyphenyl)methoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 43835656
ethane;(4-methylphenyl)methyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 171823999
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate
CID 57386299
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate?
The IUPAC name of [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate (CID 22095150) is [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate is CCOc1cc(COC(=O)Nc2ccc(C)cc2)ccc1C1OCCO1.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate?
The InChIKey is XDIFKHBOQWJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-23-18-12-15(6-9-17(18)19-24-10-11-25-19)13-26-20(22)21-16-7-4-14(2)5-8-16/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate?
[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate has a molecular weight of 357.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 22095150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).