2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide

C25H40N4O6 — CID 153393791

IUPAC2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide
SMILESCNCCOCCOCCNC(=O)CCc1cccc(C)c1CN(C=O)C(CCC=O)C(=O)NC
InChIInChI=1S/C25H40N4O6/c1-20-6-4-7-21(9-10-24(32)28-12-15-35-17-16-34-14-11-26-2)22(20)18-29(19-31)23(8-5-13-30)25(33)27-3/h4,6-7,13,19,23,26H,5,8-12,14-18H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyMRLCPEPXAFEBQZ-UHFFFAOYSA-N
MW492.62 g/mol
LogP0.35
Rot. Bonds20

About 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide

2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide (PubChem CID 153393791) has the molecular formula C25H40N4O6 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide
PubChem CID153393791
Molecular FormulaC25H40N4O6
Molecular Weight492.62 g/mol
Exact Mass492.29
IUPAC Name2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide
SMILESCNCCOCCOCCNC(=O)CCc1cccc(C)c1CN(C=O)C(CCC=O)C(=O)NC
InChIInChI=1S/C25H40N4O6/c1-20-6-4-7-21(9-10-24(32)28-12-15-35-17-16-34-14-11-26-2)22(20)18-29(19-31)23(8-5-13-30)25(33)27-3/h4,6-7,13,19,23,26H,5,8-12,14-18H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyMRLCPEPXAFEBQZ-UHFFFAOYSA-N
XLogP0.35
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
CID 153393704
(Z)-but-2-ene;N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]benzamide
CID 176700029
3-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 145229617
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-[2-(2-propoxyethoxy)ethylamino]benzamide
CID 174321847
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
tert-butyl 3-[2-[[2-[3-[formyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]-4-methylanilino]acetyl]amino]ethoxy]propanoate
CID 167470035
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-(12-oxododecylamino)benzamide;methanol
CID 155749242
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-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
2-[formyl-[[1'-(1H-indol-4-ylmethyl)-6-methylspiro[2H-1-benzofuran-3,4'-piperidine]-7-yl]methyl]amino]-N-methyl-5-oxopentanamide
CID 169201014
N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 155583326
3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane
CID 171627638

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide (CID 153393791) is 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide is CNCCOCCOCCNC(=O)CCc1cccc(C)c1CN(C=O)C(CCC=O)C(=O)NC.
What is the InChIKey of 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide?
The InChIKey is MRLCPEPXAFEBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O6/c1-20-6-4-7-21(9-10-24(32)28-12-15-35-17-16-34-14-11-26-2)22(20)18-29(19-31)23(8-5-13-30)25(33)27-3/h4,6-7,13,19,23,26H,5,8-12,14-18H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide?
2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide has a molecular weight of 492.62 g/mol, XLogP of 0.35, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[[2-methyl-6-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]-3-oxopropyl]phenyl]methyl]amino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 153393791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).