N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide

C21H29N3O5 — CID 59745823

IUPACN-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
SMILESCCCC(=O)NCCCOCC(=O)NCc1ccc(CC(=O)N2CCC2=O)cc1
InChIInChI=1S/C21H29N3O5/c1-2-4-18(25)22-10-3-12-29-15-19(26)23-14-17-7-5-16(6-8-17)13-21(28)24-11-9-20(24)27/h5-8H,2-4,9-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyRQNYHORIDLUVII-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.93
Rot. Bonds12

About N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide

N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide (PubChem CID 59745823) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
PubChem CID59745823
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC NameN-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
SMILESCCCC(=O)NCCCOCC(=O)NCc1ccc(CC(=O)N2CCC2=O)cc1
InChIInChI=1S/C21H29N3O5/c1-2-4-18(25)22-10-3-12-29-15-19(26)23-14-17-7-5-16(6-8-17)13-21(28)24-11-9-20(24)27/h5-8H,2-4,9-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyRQNYHORIDLUVII-UHFFFAOYSA-N
XLogP0.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl N-(6-oxo-5-propyloctyl)carbamate
CID 58705370
4-[2-[[4-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]phenyl]methylamino]-2-oxoethoxy]-N-propylbutanamide
CID 59745815
[2-(3-butanoyloxypropoxy)acetyl]-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl]azanide;rubidium(1+)
CID 59745767
3-[[2-[4-[[[2-(3-formamidopropoxy)acetyl]amino]methyl]phenyl]acetyl]amino]-N-methylpropanamide
CID 59745848
N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide
CID 71081998
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methyl-[2-[3-[(6-oxo-5-propyloctyl)carbamoylazanidyl]propoxy]acetyl]azanide;bis(rubidium(1+))
CID 58705381
N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide
CID 153099575
ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
CID 143668150
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
3-[2-[[3-oxo-3-[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]propanoyl]amino]ethoxy]propyl N-(5-methyl-6-oxohexyl)carbamate
CID 59745825
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide?
The IUPAC name of N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide (CID 59745823) is N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide.
What is the SMILES notation for N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide?
The canonical SMILES for N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide is CCCC(=O)NCCCOCC(=O)NCc1ccc(CC(=O)N2CCC2=O)cc1.
What is the InChIKey of N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide?
The InChIKey is RQNYHORIDLUVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-2-4-18(25)22-10-3-12-29-15-19(26)23-14-17-7-5-16(6-8-17)13-21(28)24-11-9-20(24)27/h5-8H,2-4,9-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide?
N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide has a molecular weight of 403.48 g/mol, XLogP of 0.93, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide is sourced from PubChem (CID 59745823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).