N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide

C25H25N3O — CID 56525819

IUPACN-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide
SMILESCC(c1ccc2ccccc2c1)N(CCC(=O)Nc1ccccc1C#N)C1CC1
InChIInChI=1S/C25H25N3O/c1-18(20-11-10-19-6-2-3-7-21(19)16-20)28(23-12-13-23)15-14-25(29)27-24-9-5-4-8-22(24)17-26/h2-11,16,18,23H,12-15H2,1H3,(H,27,29)
InChIKeyADZJSIFBCKLXIG-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.27
Rot. Bonds7

About N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide

N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide (PubChem CID 56525819) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide
PubChem CID56525819
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide
SMILESCC(c1ccc2ccccc2c1)N(CCC(=O)Nc1ccccc1C#N)C1CC1
InChIInChI=1S/C25H25N3O/c1-18(20-11-10-19-6-2-3-7-21(19)16-20)28(23-12-13-23)15-14-25(29)27-24-9-5-4-8-22(24)17-26/h2-11,16,18,23H,12-15H2,1H3,(H,27,29)
InChIKeyADZJSIFBCKLXIG-UHFFFAOYSA-N
XLogP5.27
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-3-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]propanamide
CID 56525313
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
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3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
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3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
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N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
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3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide
CID 95043843
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
CID 64522146
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
N-(2-cyanophenyl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 56525567

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide (CID 56525819) is N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide is CC(c1ccc2ccccc2c1)N(CCC(=O)Nc1ccccc1C#N)C1CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide?
The InChIKey is ADZJSIFBCKLXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18(20-11-10-19-6-2-3-7-21(19)16-20)28(23-12-13-23)15-14-25(29)27-24-9-5-4-8-22(24)17-26/h2-11,16,18,23H,12-15H2,1H3,(H,27,29).
What are the key properties of N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide?
N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide has a molecular weight of 383.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[cyclopropyl(1-naphthalen-2-ylethyl)amino]propanamide is sourced from PubChem (CID 56525819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).