ethyl N-[(3-methylphenyl)methoxy]carbamate

C11H15NO3 — CID 121006140

IUPACethyl N-[(3-methylphenyl)methoxy]carbamate
SMILESCCOC(=O)NOCc1cccc(C)c1
InChIInChI=1S/C11H15NO3/c1-3-14-11(13)12-15-8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyXSLLPKPWSJHAOO-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.17
Rot. Bonds4

About ethyl N-[(3-methylphenyl)methoxy]carbamate

ethyl N-[(3-methylphenyl)methoxy]carbamate (PubChem CID 121006140) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl N-[(3-methylphenyl)methoxy]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methylphenyl)methoxy]carbamate
PubChem CID121006140
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl N-[(3-methylphenyl)methoxy]carbamate
SMILESCCOC(=O)NOCc1cccc(C)c1
InChIInChI=1S/C11H15NO3/c1-3-14-11(13)12-15-8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKeyXSLLPKPWSJHAOO-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
diethyl (Z)-2-hydroxy-3-[(3-methylphenyl)methoxy]but-2-enedioate
CID 156867970
(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
CID 129081148
2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
2-[(3-methylphenyl)methoxy]-2-oxoethanesulfonic acid
CID 158070413

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methylphenyl)methoxy]carbamate?
The IUPAC name of ethyl N-[(3-methylphenyl)methoxy]carbamate (CID 121006140) is ethyl N-[(3-methylphenyl)methoxy]carbamate.
What is the SMILES notation for ethyl N-[(3-methylphenyl)methoxy]carbamate?
The canonical SMILES for ethyl N-[(3-methylphenyl)methoxy]carbamate is CCOC(=O)NOCc1cccc(C)c1.
What is the InChIKey of ethyl N-[(3-methylphenyl)methoxy]carbamate?
The InChIKey is XSLLPKPWSJHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-14-11(13)12-15-8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-[(3-methylphenyl)methoxy]carbamate?
ethyl N-[(3-methylphenyl)methoxy]carbamate has a molecular weight of 209.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methylphenyl)methoxy]carbamate is sourced from PubChem (CID 121006140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).