(2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide

C17H20N2O3 — CID 10756633

IUPAC(2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
SMILESNC(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c18-17(21)16(11-20)19-10-13-6-8-15(9-7-13)22-12-14-4-2-1-3-5-14/h1-9,16,19-20H,10-12H2,(H2,18,21)/t16-/m0/s1
InChIKeyJMIJOQDPXHRPOI-INIZCTEOSA-N
MW300.36 g/mol
LogP1.20
Rot. Bonds8

About (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide

(2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide (PubChem CID 10756633) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
PubChem CID10756633
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide
SMILESNC(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c18-17(21)16(11-20)19-10-13-6-8-15(9-7-13)22-12-14-4-2-1-3-5-14/h1-9,16,19-20H,10-12H2,(H2,18,21)/t16-/m0/s1
InChIKeyJMIJOQDPXHRPOI-INIZCTEOSA-N
XLogP1.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide (CID 10756633) is (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide is NC(=O)[C@H](CO)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
The InChIKey is JMIJOQDPXHRPOI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-17(21)16(11-20)19-10-13-6-8-15(9-7-13)22-12-14-4-2-1-3-5-14/h1-9,16,19-20H,10-12H2,(H2,18,21)/t16-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide?
(2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(4-phenylmethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 10756633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).