N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide

C24H22N2O3 — CID 43053059

IUPACN-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C24H22N2O3/c27-22(19-6-5-16-3-1-2-4-18(16)15-19)13-14-23(28)25-20-9-7-17(8-10-20)24(29)26-21-11-12-21/h1-10,15,21H,11-14H2,(H,25,28)(H,26,29)
InChIKeyLEOKXVGAKQXEJV-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.33
Rot. Bonds7

About N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide

N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide (PubChem CID 43053059) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
PubChem CID43053059
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
SMILESO=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C24H22N2O3/c27-22(19-6-5-16-3-1-2-4-18(16)15-19)13-14-23(28)25-20-9-7-17(8-10-20)24(29)26-21-11-12-21/h1-10,15,21H,11-14H2,(H,25,28)(H,26,29)
InChIKeyLEOKXVGAKQXEJV-UHFFFAOYSA-N
XLogP4.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
N-cyclopropyl-2-[2-(4-naphthalen-2-yl-4-oxobutanoyl)hydrazinyl]-2-oxoacetamide
CID 8532575
N-[4-(cyanomethyl)phenyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 27163510
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
N-cyclopropyl-4-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 55706628
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9077002
N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998042
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide (CID 43053059) is N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide is O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
The InChIKey is LEOKXVGAKQXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-22(19-6-5-16-3-1-2-4-18(16)15-19)13-14-23(28)25-20-9-7-17(8-10-20)24(29)26-21-11-12-21/h1-10,15,21H,11-14H2,(H,25,28)(H,26,29).
What are the key properties of N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide?
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide is sourced from PubChem (CID 43053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).