(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide

C19H22BrN3O3 — CID 97244968

IUPAC(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide
SMILESC[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1
InChIInChI=1S/C19H22BrN3O3/c1-14-18(15-4-6-16(20)7-5-15)26-12-10-23(14)19(24)22-9-11-25-17-3-2-8-21-13-17/h2-8,13-14,18H,9-12H2,1H3,(H,22,24)/t14-,18+/m1/s1
InChIKeyIKZOUTNKOXUMTB-KDOFPFPSSA-N
MW420.31 g/mol
LogP3.39
Rot. Bonds5

About (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide

(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide (PubChem CID 97244968) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide
PubChem CID97244968
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide
SMILESC[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1
InChIInChI=1S/C19H22BrN3O3/c1-14-18(15-4-6-16(20)7-5-15)26-12-10-23(14)19(24)22-9-11-25-17-3-2-8-21-13-17/h2-8,13-14,18H,9-12H2,1H3,(H,22,24)/t14-,18+/m1/s1
InChIKeyIKZOUTNKOXUMTB-KDOFPFPSSA-N
XLogP3.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide?
The IUPAC name of (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide (CID 97244968) is (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide is C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCCOc1cccnc1.
What is the InChIKey of (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide?
The InChIKey is IKZOUTNKOXUMTB-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-14-18(15-4-6-16(20)7-5-15)26-12-10-23(14)19(24)22-9-11-25-17-3-2-8-21-13-17/h2-8,13-14,18H,9-12H2,1H3,(H,22,24)/t14-,18+/m1/s1.
What are the key properties of (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide?
(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 97244968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).