N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

C19H26N4O3 — CID 11046559

IUPACN-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-14(2)12-16(22-19(25)23-8-10-26-11-9-23)18(24)21-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1
InChIKeyXCZAXNGSRFVDGR-DLBZAZTESA-N
MW358.44 g/mol
LogP1.82
Rot. Bonds6

About N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 11046559) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID11046559
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-14(2)12-16(22-19(25)23-8-10-26-11-9-23)18(24)21-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1
InChIKeyXCZAXNGSRFVDGR-DLBZAZTESA-N
XLogP1.82
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-3,3-dimethyl-butyl]-amide
CID 9822322
N-[(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 10002592
[(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
ethyl N-({3-[methyl(2-phenylethyl)amino]piperidin-1-yl}carbonyl)glycinate
CID 23723929
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 9843168
(S)-2-(N-(Morpholinocarbonyl)leucyl)amino-4-phenylbutanal
CID 10340297
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-2-phenyl-ethyl]-amide
CID 10927935
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-pentyl]-amide
CID 10960024
Morpholine-4-carboxylic acid {1-[(benzyl-cyano-methyl)-carbamoyl]-3-methyl-butyl}-amide
CID 11810830
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
Bn-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162654297

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 11046559) is N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is XCZAXNGSRFVDGR-DLBZAZTESA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)12-16(22-19(25)23-8-10-26-11-9-23)18(24)21-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1.
What are the key properties of N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(S)-cyano(phenyl)methyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11046559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).