N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C20H21N3O3 — CID 135566842

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1
InChIKeyPKPIHOLUWUTPLW-HNNXBMFYSA-N
MW351.41 g/mol
LogP1.58
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135566842) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135566842
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1
InChIKeyPKPIHOLUWUTPLW-HNNXBMFYSA-N
XLogP1.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135566842) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is PKPIHOLUWUTPLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-13-15(12-14-6-2-1-3-7-14)21-19(25)11-10-18-22-17-9-5-4-8-16(17)20(26)23-18/h1-9,15,24H,10-13H2,(H,21,25)(H,22,23,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135566842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).