(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide

C18H25ClN2O3 — CID 125435853

IUPAC(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)N1CCO[C@H](C2CC2)C1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)24-16-6-5-15(19)9-14(16)10-20-18(22)21-7-8-23-17(11-21)13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyYPFAONAORMBGDT-KRWDZBQOSA-N
MW352.86 g/mol
LogP3.45
Rot. Bonds5

About (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide

(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide (PubChem CID 125435853) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
PubChem CID125435853
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)N1CCO[C@H](C2CC2)C1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)24-16-6-5-15(19)9-14(16)10-20-18(22)21-7-8-23-17(11-21)13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyYPFAONAORMBGDT-KRWDZBQOSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide (CID 125435853) is (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide is CC(C)Oc1ccc(Cl)cc1CNC(=O)N1CCO[C@H](C2CC2)C1.
What is the InChIKey of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
The InChIKey is YPFAONAORMBGDT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-12(2)24-16-6-5-15(19)9-14(16)10-20-18(22)21-7-8-23-17(11-21)13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide?
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2-cyclopropylmorpholine-4-carboxamide is sourced from PubChem (CID 125435853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).