N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide

C22H21N3O — CID 42911710

IUPACN-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
SMILESCC(NC(C)c1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H21N3O/c1-15(19-11-10-18-7-3-4-8-20(18)13-19)24-16(2)22(26)25-21-9-5-6-17(12-21)14-23/h3-13,15-16,24H,1-2H3,(H,25,26)
InChIKeyJIGKXDUESWFGJY-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.39
Rot. Bonds5

About N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide

N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide (PubChem CID 42911710) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
PubChem CID42911710
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide
SMILESCC(NC(C)c1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H21N3O/c1-15(19-11-10-18-7-3-4-8-20(18)13-19)24-16(2)22(26)25-21-9-5-6-17(12-21)14-23/h3-13,15-16,24H,1-2H3,(H,25,26)
InChIKeyJIGKXDUESWFGJY-UHFFFAOYSA-N
XLogP4.39
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1-naphthalen-2-ylethyl)benzamide
CID 4824219
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(2S)-N-(3-cyanophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755318
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
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CID 2552298
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CID 2102796
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
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(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide
CID 9358498
N-(3-cyanophenyl)-5-naphthalen-1-yl-4-oxo-2-propan-2-ylpentanamide
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[1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
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CID 798498

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide (CID 42911710) is N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide is CC(NC(C)c1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide?
The InChIKey is JIGKXDUESWFGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15(19-11-10-18-7-3-4-8-20(18)13-19)24-16(2)22(26)25-21-9-5-6-17(12-21)14-23/h3-13,15-16,24H,1-2H3,(H,25,26).
What are the key properties of N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide?
N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide has a molecular weight of 343.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(1-naphthalen-2-ylethylamino)propanamide is sourced from PubChem (CID 42911710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).