benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate

C22H21N3O3 — CID 1131245

IUPACbenzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccn1)OCc1ccccc1
InChIInChI=1S/C22H21N3O3/c26-21(25-20-13-7-8-14-23-20)19(15-17-9-3-1-4-10-17)24-22(27)28-16-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,24,27)(H,23,25,26)/t19-/m1/s1
InChIKeyJSNLKADKGMYNKP-LJQANCHMSA-N
MW375.43 g/mol
LogP3.56
Rot. Bonds7

About benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate

benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate (PubChem CID 1131245) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
PubChem CID1131245
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namebenzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccn1)OCc1ccccc1
InChIInChI=1S/C22H21N3O3/c26-21(25-20-13-7-8-14-23-20)19(15-17-9-3-1-4-10-17)24-22(27)28-16-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,24,27)(H,23,25,26)/t19-/m1/s1
InChIKeyJSNLKADKGMYNKP-LJQANCHMSA-N
XLogP3.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-[1-(3-hydroxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
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CID 3364674
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benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate (CID 1131245) is benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate is O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate?
The InChIKey is JSNLKADKGMYNKP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(25-20-13-7-8-14-23-20)19(15-17-9-3-1-4-10-17)24-22(27)28-16-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,24,27)(H,23,25,26)/t19-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate?
benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate has a molecular weight of 375.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 1131245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).