N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide

C23H28N4O4 — CID 54834227

IUPACN-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H28N4O4/c1-31-14-11-24-22(29)18-5-4-6-20(15-18)26-21(28)16-25-19-9-7-17(8-10-19)23(30)27-12-2-3-13-27/h4-10,15,25H,2-3,11-14,16H2,1H3,(H,24,29)(H,26,28)
InChIKeyGJYGNKISSWEBSG-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.35
Rot. Bonds9

About N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54834227) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54834227
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H28N4O4/c1-31-14-11-24-22(29)18-5-4-6-20(15-18)26-21(28)16-25-19-9-7-17(8-10-19)23(30)27-12-2-3-13-27/h4-10,15,25H,2-3,11-14,16H2,1H3,(H,24,29)(H,26,28)
InChIKeyGJYGNKISSWEBSG-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-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
CID 54835172
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54834227) is N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is GJYGNKISSWEBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-14-11-24-22(29)18-5-4-6-20(15-18)26-21(28)16-25-19-9-7-17(8-10-19)23(30)27-12-2-3-13-27/h4-10,15,25H,2-3,11-14,16H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-[4-(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-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54834227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).