N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide

C22H27N3O4 — CID 163498903

IUPACN-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
SMILESO=C(CCCCCN1CC=CC1=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C22H27N3O4/c26-19(5-2-1-3-14-24-15-4-6-20(24)27)23-18-10-7-17(8-11-18)9-12-21(28)25-16-13-22(25)29/h4,6-8,10-11H,1-3,5,9,12-16H2,(H,23,26)
InChIKeyCTAWVCGBVNODPC-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.28
Rot. Bonds10

About N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide

N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide (PubChem CID 163498903) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
PubChem CID163498903
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
SMILESO=C(CCCCCN1CC=CC1=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C22H27N3O4/c26-19(5-2-1-3-14-24-15-4-6-20(24)27)23-18-10-7-17(8-11-18)9-12-21(28)25-16-13-22(25)29/h4,6-8,10-11H,1-3,5,9,12-16H2,(H,23,26)
InChIKeyCTAWVCGBVNODPC-UHFFFAOYSA-N
XLogP2.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
CID 71616718
(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
CID 123379665
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
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-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
N-[4-(methylaminomethyl)phenyl]-6-(7-oxo-6-propan-2-yl-5,6-dihydro-2H-azepin-1-yl)hexanamide
CID 146579237
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The IUPAC name of N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide (CID 163498903) is N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide.
What is the SMILES notation for N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The canonical SMILES for N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide is O=C(CCCCCN1CC=CC1=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1.
What is the InChIKey of N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The InChIKey is CTAWVCGBVNODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-19(5-2-1-3-14-24-15-4-6-20(24)27)23-18-10-7-17(8-11-18)9-12-21(28)25-16-13-22(25)29/h4,6-8,10-11H,1-3,5,9,12-16H2,(H,23,26).
What are the key properties of N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide has a molecular weight of 397.48 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide is sourced from PubChem (CID 163498903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).