N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide

C25H24N2O2 — CID 177088760

IUPACN-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide
SMILESCC(C)C(CC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C25H24N2O2/c1-17(2)24(25(29)27-21-11-5-7-18(13-21)16-26)15-22(28)14-20-10-6-9-19-8-3-4-12-23(19)20/h3-13,17,24H,14-15H2,1-2H3,(H,27,29)
InChIKeyGJQBOIQLZATKQC-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.12
Rot. Bonds7

About N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide

N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide (PubChem CID 177088760) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide
PubChem CID177088760
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide
SMILESCC(C)C(CC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C25H24N2O2/c1-17(2)24(25(29)27-21-11-5-7-18(13-21)16-26)15-22(28)14-20-10-6-9-19-8-3-4-12-23(19)20/h3-13,17,24H,14-15H2,1-2H3,(H,27,29)
InChIKeyGJQBOIQLZATKQC-UHFFFAOYSA-N
XLogP5.12
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
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CID 22690609
N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
CID 42911710
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
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N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 7654903
N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107766914
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
benzyl N-[1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 78769011

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide?
The IUPAC name of N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide (CID 177088760) is N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide?
The canonical SMILES for N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide is CC(C)C(CC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide?
The InChIKey is GJQBOIQLZATKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17(2)24(25(29)27-21-11-5-7-18(13-21)16-26)15-22(28)14-20-10-6-9-19-8-3-4-12-23(19)20/h3-13,17,24H,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide?
N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide has a molecular weight of 384.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide is sourced from PubChem (CID 177088760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).