N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide

C20H19N3O3 — CID 95287367

IUPACN-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide
SMILESC[C@@H](NC(=O)CCC(=O)Nc1cccc(C#N)c1)C(=O)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14(20(26)16-7-3-2-4-8-16)22-18(24)10-11-19(25)23-17-9-5-6-15(12-17)13-21/h2-9,12,14H,10-11H2,1H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyBKRZIUAZVCPNGS-CQSZACIVSA-N
MW349.39 g/mol
LogP2.66
Rot. Bonds7

About N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide

N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide (PubChem CID 95287367) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide
PubChem CID95287367
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide
SMILESC[C@@H](NC(=O)CCC(=O)Nc1cccc(C#N)c1)C(=O)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14(20(26)16-7-3-2-4-8-16)22-18(24)10-11-19(25)23-17-9-5-6-15(12-17)13-21/h2-9,12,14H,10-11H2,1H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyBKRZIUAZVCPNGS-CQSZACIVSA-N
XLogP2.66
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
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N-(3-cyanophenyl)octanamide
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N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
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N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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CID 18777205

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide?
The IUPAC name of N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide (CID 95287367) is N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide is C[C@@H](NC(=O)CCC(=O)Nc1cccc(C#N)c1)C(=O)c1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide?
The InChIKey is BKRZIUAZVCPNGS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(20(26)16-7-3-2-4-8-16)22-18(24)10-11-19(25)23-17-9-5-6-15(12-17)13-21/h2-9,12,14H,10-11H2,1H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide?
N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide has a molecular weight of 349.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-[(2R)-1-oxo-1-phenylpropan-2-yl]butanediamide is sourced from PubChem (CID 95287367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).