[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate

C11H15NO4 — CID 175203239

IUPAC[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate
SMILESCOc1ccc(C(C)OC)c(OC(N)=O)c1
InChIInChI=1S/C11H15NO4/c1-7(14-2)9-5-4-8(15-3)6-10(9)16-11(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKeyVTLLLZREXVAKTH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.86
Rot. Bonds4

About [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate

[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate (PubChem CID 175203239) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate.

Molecular Properties

Compound Name[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate
PubChem CID175203239
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate
SMILESCOc1ccc(C(C)OC)c(OC(N)=O)c1
InChIInChI=1S/C11H15NO4/c1-7(14-2)9-5-4-8(15-3)6-10(9)16-11(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKeyVTLLLZREXVAKTH-UHFFFAOYSA-N
XLogP1.86
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2-phenylphenyl) carbamate
CID 121375018
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate?
The IUPAC name of [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate (CID 175203239) is [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate.
What is the SMILES notation for [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate?
The canonical SMILES for [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate is COc1ccc(C(C)OC)c(OC(N)=O)c1.
What is the InChIKey of [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate?
The InChIKey is VTLLLZREXVAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(14-2)9-5-4-8(15-3)6-10(9)16-11(12)13/h4-7H,1-3H3,(H2,12,13).
What are the key properties of [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate?
[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate has a molecular weight of 225.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(1-methoxyethyl)phenyl] carbamate is sourced from PubChem (CID 175203239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).