N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide

C25H32N4O4 — CID 54836675

IUPACN-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-33-17-5-14-26-24(31)19-6-10-21(11-7-19)27-18-23(30)28-22-12-8-20(9-13-22)25(32)29-15-3-2-4-16-29/h6-13,27H,2-5,14-18H2,1H3,(H,26,31)(H,28,30)
InChIKeyOFBJQXDHHHQIMA-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.13
Rot. Bonds10

About N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54836675) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54836675
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-33-17-5-14-26-24(31)19-6-10-21(11-7-19)27-18-23(30)28-22-12-8-20(9-13-22)25(32)29-15-3-2-4-16-29/h6-13,27H,2-5,14-18H2,1H3,(H,26,31)(H,28,30)
InChIKeyOFBJQXDHHHQIMA-UHFFFAOYSA-N
XLogP3.13
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.13
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-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
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-(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-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
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-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54836675) is N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is COCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is OFBJQXDHHHQIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-33-17-5-14-26-24(31)19-6-10-21(11-7-19)27-18-23(30)28-22-12-8-20(9-13-22)25(32)29-15-3-2-4-16-29/h6-13,27H,2-5,14-18H2,1H3,(H,26,31)(H,28,30).
What are the key properties of N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide has a molecular weight of 452.56 g/mol, XLogP of 3.13, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54836675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).