N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide

C23H28N4O4 — CID 54835788

IUPACN-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H28N4O4/c1-31-15-12-24-22(29)17-4-8-19(9-5-17)25-16-21(28)26-20-10-6-18(7-11-20)23(30)27-13-2-3-14-27/h4-11,25H,2-3,12-16H2,1H3,(H,24,29)(H,26,28)
InChIKeyLAHCHQBPQNECRO-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.35
Rot. Bonds9

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

N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54835788) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54835788
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C23H28N4O4/c1-31-15-12-24-22(29)17-4-8-19(9-5-17)25-16-21(28)26-20-10-6-18(7-11-20)23(30)27-13-2-3-14-27/h4-11,25H,2-3,12-16H2,1H3,(H,24,29)(H,26,28)
InChIKeyLAHCHQBPQNECRO-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-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382
2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
CID 54835172
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836236
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54835788) is N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is COCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is LAHCHQBPQNECRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-15-12-24-22(29)17-4-8-19(9-5-17)25-16-21(28)26-20-10-6-18(7-11-20)23(30)27-13-2-3-14-27/h4-11,25H,2-3,12-16H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]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)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54835788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).