N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide

C23H28N4O4 — CID 54841294

IUPACN-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H28N4O4/c1-31-13-10-24-22(29)17-6-4-9-20(14-17)26-21(28)16-25-19-8-5-7-18(15-19)23(30)27-11-2-3-12-27/h4-9,14-15,25H,2-3,10-13,16H2,1H3,(H,24,29)(H,26,28)
InChIKeyFCMDFMGMQABLHI-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.35
Rot. Bonds9

About N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54841294) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54841294
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H28N4O4/c1-31-13-10-24-22(29)17-6-4-9-20(14-17)26-21(28)16-25-19-8-5-7-18(15-19)23(30)27-11-2-3-12-27/h4-9,14-15,25H,2-3,10-13,16H2,1H3,(H,24,29)(H,26,28)
InChIKeyFCMDFMGMQABLHI-UHFFFAOYSA-N
XLogP2.35
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843162
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-(2-methoxyethyl)-3-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 54836035
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54841294) is N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is FCMDFMGMQABLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-13-10-24-22(29)17-6-4-9-20(14-17)26-21(28)16-25-19-8-5-7-18(15-19)23(30)27-11-2-3-12-27/h4-9,14-15,25H,2-3,10-13,16H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 424.50 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54841294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).