4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide

C22H34N4O5 — CID 59745815

IUPAC4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide
SMILESCCCNC(=O)CCCOCC(=O)NCc1ccc(CC(=O)NCCC(=O)NC)cc1
InChIInChI=1S/C22H34N4O5/c1-3-11-24-20(28)5-4-13-31-16-22(30)26-15-18-8-6-17(7-9-18)14-21(29)25-12-10-19(27)23-2/h6-9H,3-5,10-16H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyCVGOTDZTXAOXQI-UHFFFAOYSA-N
MW434.54 g/mol
LogP0.42
Rot. Bonds15

About 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide

4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide (PubChem CID 59745815) has the molecular formula C22H34N4O5 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide.

Molecular Properties

Compound Name4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide
PubChem CID59745815
Molecular FormulaC22H34N4O5
Molecular Weight434.54 g/mol
Exact Mass434.25
IUPAC Name4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide
SMILESCCCNC(=O)CCCOCC(=O)NCc1ccc(CC(=O)NCCC(=O)NC)cc1
InChIInChI=1S/C22H34N4O5/c1-3-11-24-20(28)5-4-13-31-16-22(30)26-15-18-8-6-17(7-9-18)14-21(29)25-12-10-19(27)23-2/h6-9H,3-5,10-16H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChIKeyCVGOTDZTXAOXQI-UHFFFAOYSA-N
XLogP0.42
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide
CID 59745848
N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
CID 59745823
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]-[3-oxo-3-[2-[3-(propylcarbamoyloxy)propoxy]ethylazanidyl]propanoyl]azanide;bis(rubidium(1+))
CID 58705310
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide
CID 75444272
4-[3-(benzylamino)propoxy]-N-methylbutanamide
CID 114782847
N-[[4-(ethoxymethyl)phenyl]methyl]-5-methoxypentanamide
CID 156819501
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
CID 63892447

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide?
The IUPAC name of 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide (CID 59745815) is 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide.
What is the SMILES notation for 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide?
The canonical SMILES for 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide is CCCNC(=O)CCCOCC(=O)NCc1ccc(CC(=O)NCCC(=O)NC)cc1.
What is the InChIKey of 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide?
The InChIKey is CVGOTDZTXAOXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5/c1-3-11-24-20(28)5-4-13-31-16-22(30)26-15-18-8-6-17(7-9-18)14-21(29)25-12-10-19(27)23-2/h6-9H,3-5,10-16H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide?
4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide has a molecular weight of 434.54 g/mol, XLogP of 0.42, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide is sourced from PubChem (CID 59745815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).