N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C16H20N2O2 — CID 47137532

IUPACN-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)NC(C)CC
InChIInChI=1S/C16H20N2O2/c1-5-10(2)17-15(19)12(4)18-11(3)13-8-6-7-9-14(13)16(18)20/h6-10,12H,3,5H2,1-2,4H3,(H,17,19)
InChIKeyNAPHCMSQKOMMAN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.42
Rot. Bonds4

About N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 47137532) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID47137532
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)NC(C)CC
InChIInChI=1S/C16H20N2O2/c1-5-10(2)17-15(19)12(4)18-11(3)13-8-6-7-9-14(13)16(18)20/h6-10,12H,3,5H2,1-2,4H3,(H,17,19)
InChIKeyNAPHCMSQKOMMAN-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
(2R)-N-(3,3-diphenylpropyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 25493592
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 25487819
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 51930461
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
N-butan-2-yl-3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzamide
CID 55794894
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
N-(1-benzylpyrrolidin-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 42889444
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 94017800
(2R)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanamide
CID 1069316

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 47137532) is N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1C(C)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is NAPHCMSQKOMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-10(2)17-15(19)12(4)18-11(3)13-8-6-7-9-14(13)16(18)20/h6-10,12H,3,5H2,1-2,4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 47137532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).