N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane

C19H27N3O4 — CID 153393794

IUPACN-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
SMILESCC.CCC(=O)Nc1cccc(C=O)c1CN(C)C1CCC(=O)NC1=O
InChIInChI=1S/C17H21N3O4.C2H6/c1-3-15(22)18-13-6-4-5-11(10-21)12(13)9-20(2)14-7-8-16(23)19-17(14)24;1-2/h4-6,10,14H,3,7-9H2,1-2H3,(H,18,22)(H,19,23,24);1-2H3
InChIKeyMGKKPQNLOONHSO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.11
Rot. Bonds6

About N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane

N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane (PubChem CID 153393794) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane.

Molecular Properties

Compound NameN-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
PubChem CID153393794
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
SMILESCC.CCC(=O)Nc1cccc(C=O)c1CN(C)C1CCC(=O)NC1=O
InChIInChI=1S/C17H21N3O4.C2H6/c1-3-15(22)18-13-6-4-5-11(10-21)12(13)9-20(2)14-7-8-16(23)19-17(14)24;1-2/h4-6,10,14H,3,7-9H2,1-2H3,(H,18,22)(H,19,23,24);1-2H3
InChIKeyMGKKPQNLOONHSO-UHFFFAOYSA-N
XLogP2.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-[[(E)-2-methylbut-1-en-3-ynoxy]methylamino]benzaldehyde
CID 153393843
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
CID 166469610
1-[2-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]acetyl]-N-[2-fluoro-3-[(4-oxopiperidin-1-yl)sulfanylmethyl]phenyl]piperidine-4-carboxamide
CID 167471547
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-(8-piperidin-1-yloctylsulfanyl)benzaldehyde
CID 166921342
3-[[4-[(dicyclopropylmethylamino)methyl]phenyl]methylsulfanyl]-2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]benzaldehyde
CID 166921030
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide
CID 166715055
4-[[1-[(4-bromophenyl)methyl]-4,6,6-trimethyl-3-[(methylideneamino)methylidene]-5-oxo-1,4-diazepan-2-ylidene]amino]-N-[3-[[4-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-4-oxobutyl]amino]propyl]-3-methoxybenzamide
CID 174041525
2-(4-aminobutoxy)-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methylbenzamide;propane
CID 145229559
3-[[3-[[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)methylamino]methyl]phenyl]methylsulfanyl]-2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]benzaldehyde
CID 166920927
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane?
The IUPAC name of N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane (CID 153393794) is N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane.
What is the SMILES notation for N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane?
The canonical SMILES for N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane is CC.CCC(=O)Nc1cccc(C=O)c1CN(C)C1CCC(=O)NC1=O.
What is the InChIKey of N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane?
The InChIKey is MGKKPQNLOONHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.C2H6/c1-3-15(22)18-13-6-4-5-11(10-21)12(13)9-20(2)14-7-8-16(23)19-17(14)24;1-2/h4-6,10,14H,3,7-9H2,1-2H3,(H,18,22)(H,19,23,24);1-2H3.
What are the key properties of N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane?
N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane has a molecular weight of 361.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane is sourced from PubChem (CID 153393794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).