methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate

C11H14ClNO3 — CID 14496167

IUPACmethyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
SMILESCOC(=O)NCCOCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-15-11(14)13-5-6-16-8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyDEYCWOIRTIUVJJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.21
Rot. Bonds5

About methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate

methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate (PubChem CID 14496167) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
PubChem CID14496167
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Namemethyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
SMILESCOC(=O)NCCOCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-15-11(14)13-5-6-16-8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKeyDEYCWOIRTIUVJJ-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-[(3-chlorophenyl)methoxy]ethyl]-3-(fluoromethyl)benzamide
CID 90290577
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
(3-chlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734116
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
N-[2-[(3-chlorophenyl)methoxy]ethyl]-3-methylbutan-1-amine
CID 65125757
methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate
CID 69175520
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111176690
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
N-[2-[(3-chlorophenyl)methoxy]ethyl]-N',N'-diethylethane-1,2-diamine
CID 65125563

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate (CID 14496167) is methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate is COC(=O)NCCOCc1cccc(Cl)c1.
What is the InChIKey of methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate?
The InChIKey is DEYCWOIRTIUVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-11(14)13-5-6-16-8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3,(H,13,14).
What are the key properties of methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate?
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate has a molecular weight of 243.69 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate is sourced from PubChem (CID 14496167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).