2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide

C24H41N7O4 — CID 156882699

IUPAC2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide
SMILESCCCC(C)N(C)Cc1c(C=O)cccc1NC(=O)COCCNCCN(N)/C=C(\N)CNC=O
InChIInChI=1S/C24H41N7O4/c1-4-6-19(2)30(3)15-22-20(16-32)7-5-8-23(22)29-24(34)17-35-12-10-27-9-11-31(26)14-21(25)13-28-18-33/h5,7-8,14,16,18-19,27H,4,6,9-13,15,17,25-26H2,1-3H3,(H,28,33)(H,29,34)/b21-14-
InChIKeyYPFRMJZFIULKPU-STZFKDTASA-N
MW491.64 g/mol
LogP0.39
Rot. Bonds19

About 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide

2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide (PubChem CID 156882699) has the molecular formula C24H41N7O4 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide
PubChem CID156882699
Molecular FormulaC24H41N7O4
Molecular Weight491.64 g/mol
Exact Mass491.32
IUPAC Name2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide
SMILESCCCC(C)N(C)Cc1c(C=O)cccc1NC(=O)COCCNCCN(N)/C=C(\N)CNC=O
InChIInChI=1S/C24H41N7O4/c1-4-6-19(2)30(3)15-22-20(16-32)7-5-8-23(22)29-24(34)17-35-12-10-27-9-11-31(26)14-21(25)13-28-18-33/h5,7-8,14,16,18-19,27H,4,6,9-13,15,17,25-26H2,1-3H3,(H,28,33)(H,29,34)/b21-14-
InChIKeyYPFRMJZFIULKPU-STZFKDTASA-N
XLogP0.39
TPSA155.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 50.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(Z)-2-amino-3-[amino-[2-[2-[2-[3-formyl-2-[[methyl(1-oxopentan-2-yl)amino]methyl]anilino]-2-oxoethoxy]ethylamino]ethyl]amino]prop-2-enyl]benzamide
CID 166715065
2-[2-[2-(ethenylamino)ethoxy]ethylamino]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide
CID 166714865
N-[3-formyl-2-[[methyl(5-oxopentan-2-yl)amino]methyl]phenyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanamide
CID 166714864
N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide
CID 166715214
tert-butyl N-[2-[2-[2-[[(1-formamido-1-oxopentan-2-yl)-methylamino]methyl]-3-formylanilino]-2-oxoethoxy]ethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]carbamate;ethane
CID 156882535
3-[3-(4-aminobutoxy)propylamino]-N-[2-[[formamido(methyl)amino]methyl]-3-formylphenyl]propanamide
CID 156882816
N-formyl-2-[[2-formyl-6-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]but-1-ynyl]phenyl]methyl-methylamino]pentanamide
CID 156883056
2-[(2-formyl-6-propan-2-ylphenyl)methyl-methylamino]-N-methyl-5-oxopentanamide
CID 177202054
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
2-(2-aminoethoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 79463489
2-[[2-[(2-fluoro-3-formylphenyl)methylamino]-6-formylphenyl]methyl-methylamino]-N-methyl-5-oxopentanamide;N-methylmethanamine
CID 145071019
N-(2-hydroxyphenyl)-2-(2-methylpropoxy)acetamide
CID 143482157

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide (CID 156882699) is 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide is CCCC(C)N(C)Cc1c(C=O)cccc1NC(=O)COCCNCCN(N)/C=C(\N)CNC=O.
What is the InChIKey of 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide?
The InChIKey is YPFRMJZFIULKPU-STZFKDTASA-N. The full InChI is InChI=1S/C24H41N7O4/c1-4-6-19(2)30(3)15-22-20(16-32)7-5-8-23(22)29-24(34)17-35-12-10-27-9-11-31(26)14-21(25)13-28-18-33/h5,7-8,14,16,18-19,27H,4,6,9-13,15,17,25-26H2,1-3H3,(H,28,33)(H,29,34)/b21-14-.
What are the key properties of 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide?
2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide has a molecular weight of 491.64 g/mol, XLogP of 0.39, 19 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[amino-[(Z)-2-amino-3-formamidoprop-1-enyl]amino]ethylamino]ethoxy]-N-[3-formyl-2-[[methyl(pentan-2-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 156882699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).