N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide

C22H27N3O2 — CID 42765808

IUPACN-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
SMILESCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C22H27N3O2/c1-4-14-25-20(18-8-6-7-9-19(18)22(25)27)24-17-12-10-16(11-13-17)21(26)23-15(3)5-2/h6-13,15,20,24H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyRGKWVHNMBFHRQC-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.19
Rot. Bonds7

About N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide

N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide (PubChem CID 42765808) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
PubChem CID42765808
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide
SMILESCCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)CC)cc1
InChIInChI=1S/C22H27N3O2/c1-4-14-25-20(18-8-6-7-9-19(18)22(25)27)24-17-12-10-16(11-13-17)21(26)23-15(3)5-2/h6-13,15,20,24H,4-5,14H2,1-3H3,(H,23,26)
InChIKeyRGKWVHNMBFHRQC-UHFFFAOYSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]-N-propan-2-ylbenzamide
CID 42765807
N-[(2R)-butan-2-yl]-4-[[(1R)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 1196195
N-benzhydryl-4-[[2-(3-methylbutyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42663547
4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]-N-propylbenzamide
CID 42663508
4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(1-phenylethyl)benzamide
CID 4991609
3-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]anilino]-2-propyl-3H-isoindol-1-one
CID 42663413
N-ethoxy-4-[[2-(2-methoxyethyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42765872
4-[[2-(3-ethoxypropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(3-methylbutyl)benzamide
CID 42663467
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947
3-oxo-1-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)-2-propyl-1H-isoindole-5-carboxamide
CID 46253346
(3S)-3-[3-(4-ethylpiperazine-1-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
CID 1196795
3-[3-(4-acetylpiperazine-1-carbonyl)anilino]-2-propyl-3H-isoindol-1-one
CID 3944177

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide (CID 42765808) is N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide is CCCN1C(=O)c2ccccc2C1Nc1ccc(C(=O)NC(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide?
The InChIKey is RGKWVHNMBFHRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-14-25-20(18-8-6-7-9-19(18)22(25)27)24-17-12-10-16(11-13-17)21(26)23-15(3)5-2/h6-13,15,20,24H,4-5,14H2,1-3H3,(H,23,26).
What are the key properties of N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide?
N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(3-oxo-2-propyl-1H-isoindol-1-yl)amino]benzamide is sourced from PubChem (CID 42765808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).