N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide

C24H33N3O6 — CID 153099575

IUPACN-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide
SMILESCC(=O)C(C)CCCCNC(=O)COCC(=O)N(C)c1cccc(CC(=O)N2CCC2=O)c1
InChIInChI=1S/C24H33N3O6/c1-17(18(2)28)7-4-5-11-25-21(29)15-33-16-24(32)26(3)20-9-6-8-19(13-20)14-23(31)27-12-10-22(27)30/h6,8-9,13,17H,4-5,7,10-12,14-16H2,1-3H3,(H,25,29)
InChIKeyVQUGLDHNQHGANI-UHFFFAOYSA-N
MW459.54 g/mol
LogP1.48
Rot. Bonds13

About N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide

N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide (PubChem CID 153099575) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide
PubChem CID153099575
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC NameN-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide
SMILESCC(=O)C(C)CCCCNC(=O)COCC(=O)N(C)c1cccc(CC(=O)N2CCC2=O)c1
InChIInChI=1S/C24H33N3O6/c1-17(18(2)28)7-4-5-11-25-21(29)15-33-16-24(32)26(3)20-9-6-8-19(13-20)14-23(31)27-12-10-22(27)30/h6,8-9,13,17H,4-5,7,10-12,14-16H2,1-3H3,(H,25,29)
InChIKeyVQUGLDHNQHGANI-UHFFFAOYSA-N
XLogP1.48
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-oxo-2-[[4-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]phenyl]methylamino]ethoxy]propyl]butanamide
CID 59745823
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
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
(2S)-2-acetamido-N-[(5S,8R,11R)-1-acetamido-15-amino-11-benzyl-6,9,12,15-tetraoxo-8-[4-[[2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetyl]amino]butyl]pentadecan-5-yl]pentanediamide
CID 59758216
(2,5-dioxopyrrolidin-1-yl) 2-[2-(5-methylhexylamino)-2-oxoethoxy]acetate
CID 88864820
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
[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-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
CID 89404001
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide?
The IUPAC name of N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide (CID 153099575) is N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide?
The canonical SMILES for N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide is CC(=O)C(C)CCCCNC(=O)COCC(=O)N(C)c1cccc(CC(=O)N2CCC2=O)c1.
What is the InChIKey of N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide?
The InChIKey is VQUGLDHNQHGANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-17(18(2)28)7-4-5-11-25-21(29)15-33-16-24(32)26(3)20-9-6-8-19(13-20)14-23(31)27-12-10-22(27)30/h6,8-9,13,17H,4-5,7,10-12,14-16H2,1-3H3,(H,25,29).
What are the key properties of N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide?
N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide has a molecular weight of 459.54 g/mol, XLogP of 1.48, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxoheptyl)-2-[2-[N-methyl-3-[2-oxo-2-(2-oxoazetidin-1-yl)ethyl]anilino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 153099575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).