N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

C24H28N4O3 — CID 10927935

IUPACN-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESN#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1-10,21-22H,11-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1
InChIKeySAJDFWBRNFJSFM-VXKWHMMOSA-N
MW420.51 g/mol
LogP2.28
Rot. Bonds8

About N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 10927935) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
PubChem CID10927935
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESN#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1-10,21-22H,11-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1
InChIKeySAJDFWBRNFJSFM-VXKWHMMOSA-N
XLogP2.28
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine-4-Carboxylic Acid (1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl)-Amide
CID 5287870
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CID 9822322
N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 10002592
N-((S)-1-((R)-2-(benzyloxy)-1-cyanoethylamino)-3-cyclohexyl-1-oxopropan-2-yl)morpholine-4-carboxamide
CID 10252805
4-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]-3-phenylpropan-2-yl]piperazine-1-carboxamide
CID 88076400
(2R)-N-[(2R)-6-amino-1-morpholin-4-yl-1-oxohexan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetyl]amino]propanoyl]amino]pentanamide
CID 138520730
3,6-Dibenzyl-2,5-dioxopiperazine
CID 16829
[(1R)-3-methyl-1-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]butyl]boronic acid
CID 10271738
Morpholine-4-carboxylic acid {1-[(cyano-phenyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 11069367
PhPr-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162660473
PhEt-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162663182
2-(2-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (CID 10927935) is N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is N#C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The InChIKey is SAJDFWBRNFJSFM-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H28N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1-10,21-22H,11-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10927935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).