N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide

C17H23BrN2O3 — CID 119776320

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCOc1ccc(Br)cc1CN(C(=O)C1CNCCO1)C1CC1
InChIInChI=1S/C17H23BrN2O3/c1-2-22-15-6-3-13(18)9-12(15)11-20(14-4-5-14)17(21)16-10-19-7-8-23-16/h3,6,9,14,16,19H,2,4-5,7-8,10-11H2,1H3
InChIKeyLHISRQQGNCEXPR-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.33
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide

N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 119776320) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID119776320
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCOc1ccc(Br)cc1CN(C(=O)C1CNCCO1)C1CC1
InChIInChI=1S/C17H23BrN2O3/c1-2-22-15-6-3-13(18)9-12(15)11-20(14-4-5-14)17(21)16-10-19-7-8-23-16/h3,6,9,14,16,19H,2,4-5,7-8,10-11H2,1H3
InChIKeyLHISRQQGNCEXPR-UHFFFAOYSA-N
XLogP2.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide (CID 119776320) is N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide is CCOc1ccc(Br)cc1CN(C(=O)C1CNCCO1)C1CC1.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is LHISRQQGNCEXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-2-22-15-6-3-13(18)9-12(15)11-20(14-4-5-14)17(21)16-10-19-7-8-23-16/h3,6,9,14,16,19H,2,4-5,7-8,10-11H2,1H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide?
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 119776320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).