3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide

C31H44N6O7 — CID 156883005

IUPAC3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(CCC(=O)NC=O)N1Cc2ccccc2C1=O.NC(=O)CCOCCOCCOCCN/C=C(\N)c1ccc(N)cc1
InChIInChI=1S/C17H28N4O4.C14H16N2O3/c18-15-3-1-14(2-4-15)16(19)13-21-6-8-24-10-12-25-11-9-23-7-5-17(20)22;1-10(6-7-13(18)15-9-17)16-8-11-4-2-3-5-12(11)14(16)19/h1-4,13,21H,5-12,18-19H2,(H2,20,22);2-5,9-10H,6-8H2,1H3,(H,15,17,18)/b16-13-;
InChIKeyZJNSRTDPTUUCED-UNVLYCKESA-N
MW612.73 g/mol
LogP1.12
Rot. Bonds19

About 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide

3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 156883005) has the molecular formula C31H44N6O7 and a molecular weight of 612.73 g/mol. Its IUPAC name is 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID156883005
Molecular FormulaC31H44N6O7
Molecular Weight612.73 g/mol
Exact Mass612.33
IUPAC Name3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(CCC(=O)NC=O)N1Cc2ccccc2C1=O.NC(=O)CCOCCOCCOCCN/C=C(\N)c1ccc(N)cc1
InChIInChI=1S/C17H28N4O4.C14H16N2O3/c18-15-3-1-14(2-4-15)16(19)13-21-6-8-24-10-12-25-11-9-23-7-5-17(20)22;1-10(6-7-13(18)15-9-17)16-8-11-4-2-3-5-12(11)14(16)19/h1-4,13,21H,5-12,18-19H2,(H2,20,22);2-5,9-10H,6-8H2,1H3,(H,15,17,18)/b16-13-;
InChIKeyZJNSRTDPTUUCED-UNVLYCKESA-N
XLogP1.12
TPSA201.33 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.73
LogP ≤ 51.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 154684406
4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
CID 22093158
4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 177161201
4-(7-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide;2,2,4-trimethylpentanoic acid
CID 170590672
4-[7-[7-(tert-butylamino)heptylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921192
N-formyl-4-[6-(4-formylpiperazin-1-yl)-5-methoxy-3-oxo-1H-isoindol-2-yl]pentanamide
CID 170070661
4-[7-(6-bromohexylsulfanyl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921268
4-[5-[[2-(5-formamido-5-oxopentan-2-yl)-3-oxo-1H-isoindol-5-yl]amino]pentylamino]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 162439156
CID 169191001
CID 169191001
4-[7-[[2-[(cyclopentylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921401
2-butan-2-yl-3H-isoindol-1-one;ethane
CID 177036147
3,3-difluoro-N-propan-2-ylcyclohexan-1-amine;N-formyl-4-(6-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 169190998

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 156883005) is 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide is CC(CCC(=O)NC=O)N1Cc2ccccc2C1=O.NC(=O)CCOCCOCCOCCN/C=C(\N)c1ccc(N)cc1.
What is the InChIKey of 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is ZJNSRTDPTUUCED-UNVLYCKESA-N. The full InChI is InChI=1S/C17H28N4O4.C14H16N2O3/c18-15-3-1-14(2-4-15)16(19)13-21-6-8-24-10-12-25-11-9-23-7-5-17(20)22;1-10(6-7-13(18)15-9-17)16-8-11-4-2-3-5-12(11)14(16)19/h1-4,13,21H,5-12,18-19H2,(H2,20,22);2-5,9-10H,6-8H2,1H3,(H,15,17,18)/b16-13-;.
What are the key properties of 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide?
3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 612.73 g/mol, XLogP of 1.12, 19 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 156883005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).