N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide

C22H23N3O3 — CID 32881882

IUPACN-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide
SMILESC=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C22H23N3O3/c1-14-18-7-5-6-8-19(18)22(28)25(14)15(2)21(27)24(4)13-16-9-11-17(12-10-16)20(26)23-3/h5-12,15H,1,13H2,2-4H3,(H,23,26)/t15-/m0/s1
InChIKeyOKADSRDUTZFQSU-HNNXBMFYSA-N
MW377.44 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide (PubChem CID 32881882) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide
PubChem CID32881882
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide
SMILESC=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C22H23N3O3/c1-14-18-7-5-6-8-19(18)22(28)25(14)15(2)21(27)24(4)13-16-9-11-17(12-10-16)20(26)23-3/h5-12,15H,1,13H2,2-4H3,(H,23,26)/t15-/m0/s1
InChIKeyOKADSRDUTZFQSU-HNNXBMFYSA-N
XLogP2.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 42892587
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
benzyl N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]carbamate
CID 8965653
N-methyl-4-[[methyl-[(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]methyl]benzamide
CID 94821305
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686
N-butan-2-yl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 47137532
N-methyl-4-[[methyl-[(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)methyl]amino]methyl]benzamide
CID 9323622
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
CID 120518052

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide (CID 32881882) is N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide is C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide?
The InChIKey is OKADSRDUTZFQSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-18-7-5-6-8-19(18)22(28)25(14)15(2)21(27)24(4)13-16-9-11-17(12-10-16)20(26)23-3/h5-12,15H,1,13H2,2-4H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 32881882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).