N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane

C22H35N3O4 — CID 156860973

IUPACN-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane
SMILESCC.CN(C=O)c1cc(CCCCCCO)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C20H29N3O4.C2H6/c1-22(14-25)18-13-15(7-5-3-4-6-12-24)8-9-16(18)23(2)17-10-11-19(26)21-20(17)27;1-2/h8-9,13-14,17,24H,3-7,10-12H2,1-2H3,(H,21,26,27);1-2H3
InChIKeyQPVVYZMQFZIYEF-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.64
Rot. Bonds10

About N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane

N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane (PubChem CID 156860973) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane.

Molecular Properties

Compound NameN-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane
PubChem CID156860973
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC NameN-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane
SMILESCC.CN(C=O)c1cc(CCCCCCO)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C20H29N3O4.C2H6/c1-22(14-25)18-13-15(7-5-3-4-6-12-24)8-9-16(18)23(2)17-10-11-19(26)21-20(17)27;1-2/h8-9,13-14,17,24H,3-7,10-12H2,1-2H3,(H,21,26,27);1-2H3
InChIKeyQPVVYZMQFZIYEF-UHFFFAOYSA-N
XLogP2.64
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane 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

N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
CID 156836959
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243
3-[2-[2-[3-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]propoxy]ethoxy]ethoxy]propanoic acid
CID 167469905
N-[2-(dimethylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167190325
1-[4-(3-bromopropyl)phenyl]-1-(2,6-dioxopiperidin-3-yl)-3-methylurea
CID 156858771
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
CID 166469610
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
1-[3-(8-aminooctyl)-5-chlorophenyl]-3-[[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]methyl]urea
CID 166148371
tert-butyl N-[6-[4-[(2,7-dioxoazepan-3-yl)-methylsulfamoyl]phenyl]hexyl]carbamate
CID 171843945

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane?
The IUPAC name of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane (CID 156860973) is N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane.
What is the SMILES notation for N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane?
The canonical SMILES for N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane is CC.CN(C=O)c1cc(CCCCCCO)ccc1N(C)C1CCC(=O)NC1=O.
What is the InChIKey of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane?
The InChIKey is QPVVYZMQFZIYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4.C2H6/c1-22(14-25)18-13-15(7-5-3-4-6-12-24)8-9-16(18)23(2)17-10-11-19(26)21-20(17)27;1-2/h8-9,13-14,17,24H,3-7,10-12H2,1-2H3,(H,21,26,27);1-2H3.
What are the key properties of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane?
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane has a molecular weight of 405.54 g/mol, XLogP of 2.64, 10 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]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane is sourced from PubChem (CID 156860973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).