N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C26H34N4O4 — CID 54843162

IUPACN-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C26H34N4O4/c1-19-10-13-30(14-11-19)26(33)21-7-4-8-22(17-21)28-18-24(31)29-23-9-3-6-20(16-23)25(32)27-12-5-15-34-2/h3-4,6-9,16-17,19,28H,5,10-15,18H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyNMIWMEJMBQSSOD-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.38
Rot. Bonds10

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

N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54843162) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54843162
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C26H34N4O4/c1-19-10-13-30(14-11-19)26(33)21-7-4-8-22(17-21)28-18-24(31)29-23-9-3-6-20(16-23)25(32)27-12-5-15-34-2/h3-4,6-9,16-17,19,28H,5,10-15,18H2,1-2H3,(H,27,32)(H,29,31)
InChIKeyNMIWMEJMBQSSOD-UHFFFAOYSA-N
XLogP3.38
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.38
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)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818
N-butyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833542
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54843162) is N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is COCCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is NMIWMEJMBQSSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-19-10-13-30(14-11-19)26(33)21-7-4-8-22(17-21)28-18-24(31)29-23-9-3-6-20(16-23)25(32)27-12-5-15-34-2/h3-4,6-9,16-17,19,28H,5,10-15,18H2,1-2H3,(H,27,32)(H,29,31).
What are the key properties of N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 466.58 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).