(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide

C18H22N2O3 — CID 10852755

IUPAC(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
SMILESCNC(=O)[C@@H](CO)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-19-18(22)17(12-21)20-11-14-7-9-16(10-8-14)23-13-15-5-3-2-4-6-15/h2-10,17,20-21H,11-13H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyPPNQCSNKEHUNCF-QGZVFWFLSA-N
MW314.38 g/mol
LogP1.46
Rot. Bonds8

About (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide

(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide (PubChem CID 10852755) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
PubChem CID10852755
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
SMILESCNC(=O)[C@@H](CO)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c1-19-18(22)17(12-21)20-11-14-7-9-16(10-8-14)23-13-15-5-3-2-4-6-15/h2-10,17,20-21H,11-13H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyPPNQCSNKEHUNCF-QGZVFWFLSA-N
XLogP1.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
The IUPAC name of (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide (CID 10852755) is (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
The canonical SMILES for (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide is CNC(=O)[C@@H](CO)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
The InChIKey is PPNQCSNKEHUNCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19-18(22)17(12-21)20-11-14-7-9-16(10-8-14)23-13-15-5-3-2-4-6-15/h2-10,17,20-21H,11-13H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
(2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide has a molecular weight of 314.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 10852755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).