N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide

C27H33N3O5 — CID 123319122

IUPACN-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
SMILESCc1ccc(CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)cc1
InChIInChI=1S/C27H33N3O5/c1-20-5-7-21(8-6-20)4-2-3-16-28-24(31)18-35-19-25(32)29-23-12-9-22(10-13-23)11-14-26(33)30-17-15-27(30)34/h5-10,12-13H,2-4,11,14-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyVBRXXAJHSHDOQO-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.78
Rot. Bonds13

About N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide

N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide (PubChem CID 123319122) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
PubChem CID123319122
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC NameN-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
SMILESCc1ccc(CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)cc1
InChIInChI=1S/C27H33N3O5/c1-20-5-7-21(8-6-20)4-2-3-16-28-24(31)18-35-19-25(32)29-23-12-9-22(10-13-23)11-14-26(33)30-17-15-27(30)34/h5-10,12-13H,2-4,11,14-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyVBRXXAJHSHDOQO-UHFFFAOYSA-N
XLogP2.78
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.78
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

2-[2-oxo-2-[4-[5-oxo-5-(2-oxoazetidin-1-yl)pentyl]anilino]ethoxy]acetic acid
CID 71616718
2-[2-oxo-2-[4-[6-oxo-6-(2-oxoazetidin-1-yl)hexyl]anilino]ethoxy]acetic acid
CID 71616719
CID 161252204
CID 161252204
(2,5-dihydroxypyrrol-1-yl) 2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetate
CID 123379665
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-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]propanamide
CID 134421789
N-(3-aminopropyl)-2-[2-[N-(butylcarbamoyl)-4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]-2-oxoethoxy]acetamide
CID 71081998
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
(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
N-[3-(4-cyclopentylbutylamino)-3-oxopropyl]-3-[4-[[2-[2-[3-(3-methylphenyl)propylamino]-2-oxoethoxy]acetyl]amino]phenyl]propanamide
CID 123942323
N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]-6-(5-oxo-2H-pyrrol-1-yl)hexanamide
CID 163498903

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide?
The IUPAC name of N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide (CID 123319122) is N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide?
The canonical SMILES for N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide is Cc1ccc(CCCCNC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide?
The InChIKey is VBRXXAJHSHDOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-20-5-7-21(8-6-20)4-2-3-16-28-24(31)18-35-19-25(32)29-23-12-9-22(10-13-23)11-14-26(33)30-17-15-27(30)34/h5-10,12-13H,2-4,11,14-19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide?
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide has a molecular weight of 479.58 g/mol, XLogP of 2.78, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide is sourced from PubChem (CID 123319122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).