[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate

C14H19ClN2O4 — CID 175535996

IUPAC[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate
SMILESCc1c(Cl)cc(OC(N)=O)cc1OCCN1CCOCC1
InChIInChI=1S/C14H19ClN2O4/c1-10-12(15)8-11(21-14(16)18)9-13(10)20-7-4-17-2-5-19-6-3-17/h8-9H,2-7H2,1H3,(H2,16,18)
InChIKeyRUCRSOQJTCRLHD-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.82
Rot. Bonds5

About [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate

[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate (PubChem CID 175535996) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate.

Molecular Properties

Compound Name[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate
PubChem CID175535996
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate
SMILESCc1c(Cl)cc(OC(N)=O)cc1OCCN1CCOCC1
InChIInChI=1S/C14H19ClN2O4/c1-10-12(15)8-11(21-14(16)18)9-13(10)20-7-4-17-2-5-19-6-3-17/h8-9H,2-7H2,1H3,(H2,16,18)
InChIKeyRUCRSOQJTCRLHD-UHFFFAOYSA-N
XLogP1.82
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate?
The IUPAC name of [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate (CID 175535996) is [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate.
What is the SMILES notation for [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate?
The canonical SMILES for [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate is Cc1c(Cl)cc(OC(N)=O)cc1OCCN1CCOCC1.
What is the InChIKey of [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate?
The InChIKey is RUCRSOQJTCRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-10-12(15)8-11(21-14(16)18)9-13(10)20-7-4-17-2-5-19-6-3-17/h8-9H,2-7H2,1H3,(H2,16,18).
What are the key properties of [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate?
[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate has a molecular weight of 314.77 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate is sourced from PubChem (CID 175535996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).