3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide

C19H20N4O5 — CID 146666744

IUPAC3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)c1
InChIInChI=1S/C19H20N4O5/c1-20-15(24)7-5-11-3-2-4-12(9-11)21-13-10-17(26)23(19(13)28)14-6-8-16(25)22-18(14)27/h2-4,9-10,14,21H,5-8H2,1H3,(H,20,24)(H,22,25,27)
InChIKeyAMZYNXQXEGHYKC-UHFFFAOYSA-N
MW384.39 g/mol
LogP-0.17
Rot. Bonds6

About 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide

3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide (PubChem CID 146666744) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide
PubChem CID146666744
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)c1
InChIInChI=1S/C19H20N4O5/c1-20-15(24)7-5-11-3-2-4-12(9-11)21-13-10-17(26)23(19(13)28)14-6-8-16(25)22-18(14)27/h2-4,9-10,14,21H,5-8H2,1H3,(H,20,24)(H,22,25,27)
InChIKeyAMZYNXQXEGHYKC-UHFFFAOYSA-N
XLogP-0.17
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
CID 146627956
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-(3-oxo-4-phenylbutyl)anilino]pyrrole-2,5-dione
CID 164985332
tert-butyl N-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]-N-methylcarbamate
CID 168803116
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[4-(4-methylphenyl)-3-oxobutyl]anilino]pyrrole-2,5-dione
CID 165021621
3-[3-[3-[6-(4-chloro-3-methylphenyl)-4-oxohexan-2-yl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165071940
N-(3-chloro-4-methylphenyl)-2-[1-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropyl]acetamide
CID 166855592
3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165005672
ethyl 3-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 165066116
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione
CID 165073619
3-[3-[4-(3-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(4-chlorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(2,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione;3-[3-[4-(3,4-difluorophenyl)-3-oxobutyl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 164974398
3-[3-[5-(3-chlorophenyl)-4-oxopentan-2-yl]anilino]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 165002748
cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide
CID 166855352

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide?
The IUPAC name of 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide (CID 146666744) is 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide is CNC(=O)CCc1cccc(NC2=CC(=O)N(C3CCC(=O)NC3=O)C2=O)c1.
What is the InChIKey of 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide?
The InChIKey is AMZYNXQXEGHYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-20-15(24)7-5-11-3-2-4-12(9-11)21-13-10-17(26)23(19(13)28)14-6-8-16(25)22-18(14)27/h2-4,9-10,14,21H,5-8H2,1H3,(H,20,24)(H,22,25,27).
What are the key properties of 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide?
3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide has a molecular weight of 384.39 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide is sourced from PubChem (CID 146666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).