N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H25N3O4 — CID 38824667

IUPACN-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCOc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C22H25N3O4/c1-2-13-29-19-6-3-5-17(14-19)24-20(26)15-23-22(28)16-8-10-18(11-9-16)25-12-4-7-21(25)27/h3,5-6,8-11,14H,2,4,7,12-13,15H2,1H3,(H,23,28)(H,24,26)
InChIKeyAEHAPOZSQLDVRV-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.97
Rot. Bonds8

About N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38824667) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38824667
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCOc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C22H25N3O4/c1-2-13-29-19-6-3-5-17(14-19)24-20(26)15-23-22(28)16-8-10-18(11-9-16)25-12-4-7-21(25)27/h3,5-6,8-11,14H,2,4,7,12-13,15H2,1H3,(H,23,28)(H,24,26)
InChIKeyAEHAPOZSQLDVRV-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
methyl 3-[2-[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]ethynyl]benzoate
CID 30712549
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 38824667) is N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCCOc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AEHAPOZSQLDVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-13-29-19-6-3-5-17(14-19)24-20(26)15-23-22(28)16-8-10-18(11-9-16)25-12-4-7-21(25)27/h3,5-6,8-11,14H,2,4,7,12-13,15H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 395.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38824667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).