N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide

C24H35N5O6 — CID 71081998

IUPACN-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide
SMILESCCCCNC(=O)N(C(=O)COCC(=O)NCCCN)c1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C24H35N5O6/c1-2-3-13-27-24(34)29(23(33)17-35-16-20(30)26-14-4-12-25)19-8-5-18(6-9-19)7-10-21(31)28-15-11-22(28)32/h5-6,8-9H,2-4,7,10-17,25H2,1H3,(H,26,30)(H,27,34)
InChIKeyGSPXLIUUJPYVMR-UHFFFAOYSA-N
MW489.57 g/mol
LogP0.70
Rot. Bonds14

About N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide

N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide (PubChem CID 71081998) has the molecular formula C24H35N5O6 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide
PubChem CID71081998
Molecular FormulaC24H35N5O6
Molecular Weight489.57 g/mol
Exact Mass489.26
IUPAC NameN-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide
SMILESCCCCNC(=O)N(C(=O)COCC(=O)NCCCN)c1ccc(CCC(=O)N2CCC2=O)cc1
InChIInChI=1S/C24H35N5O6/c1-2-3-13-27-24(34)29(23(33)17-35-16-20(30)26-14-4-12-25)19-8-5-18(6-9-19)7-10-21(31)28-15-11-22(28)32/h5-6,8-9H,2-4,7,10-17,25H2,1H3,(H,26,30)(H,27,34)
InChIKeyGSPXLIUUJPYVMR-UHFFFAOYSA-N
XLogP0.70
TPSA151.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
CID 59745823
ethane;N-methylhexan-1-amine;2-(2-oxoethoxy)-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]acetamide;N-pentylacetamide
CID 143668150
CID 161252204
CID 161252204
2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
CID 71616718
N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide
CID 153099575
2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719
(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-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
CID 58427329
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
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
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide?
The IUPAC name of N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide (CID 71081998) is N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide is CCCCNC(=O)N(C(=O)COCC(=O)NCCCN)c1ccc(CCC(=O)N2CCC2=O)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide?
The InChIKey is GSPXLIUUJPYVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O6/c1-2-3-13-27-24(34)29(23(33)17-35-16-20(30)26-14-4-12-25)19-8-5-18(6-9-19)7-10-21(31)28-15-11-22(28)32/h5-6,8-9H,2-4,7,10-17,25H2,1H3,(H,26,30)(H,27,34).
What are the key properties of N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide?
N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide has a molecular weight of 489.57 g/mol, XLogP of 0.70, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 71081998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).