N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide

C25H32N4O4 — CID 54836112

IUPACN-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-18-11-14-29(15-12-18)25(32)20-5-9-22(10-6-20)28-23(30)17-27-21-7-3-19(4-8-21)24(31)26-13-16-33-2/h3-10,18,27H,11-17H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyHASUHUNSOASDKZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.99
Rot. Bonds9

About N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54836112) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54836112
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-18-11-14-29(15-12-18)25(32)20-5-9-22(10-6-20)28-23(30)17-27-21-7-3-19(4-8-21)24(31)26-13-16-33-2/h3-10,18,27H,11-17H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyHASUHUNSOASDKZ-UHFFFAOYSA-N
XLogP2.99
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.99
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)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
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
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
CID 54835172

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide (CID 54836112) is N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide is COCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is HASUHUNSOASDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-18-11-14-29(15-12-18)25(32)20-5-9-22(10-6-20)28-23(30)17-27-21-7-3-19(4-8-21)24(31)26-13-16-33-2/h3-10,18,27H,11-17H2,1-2H3,(H,26,31)(H,28,30).
What are the key properties of N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 452.56 g/mol, XLogP of 2.99, 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-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54836112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).