3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

C23H31N3O4 — CID 54842282

IUPAC3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCC(C)Oc1ccc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C23H31N3O4/c1-4-17(2)30-21-11-9-19(10-12-21)26-22(27)16-25-20-8-5-7-18(15-20)23(28)24-13-6-14-29-3/h5,7-12,15,17,25H,4,6,13-14,16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyCLMQCIDZOOSKGR-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.68
Rot. Bonds12

About 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54842282) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54842282
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCC(C)Oc1ccc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)cc1
InChIInChI=1S/C23H31N3O4/c1-4-17(2)30-21-11-9-19(10-12-21)26-22(27)16-25-20-8-5-7-18(15-20)23(28)24-13-6-14-29-3/h5,7-12,15,17,25H,4,6,13-14,16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyCLMQCIDZOOSKGR-UHFFFAOYSA-N
XLogP3.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.68
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)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54830126
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propylbenzamide
CID 54829612
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (CID 54842282) is 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is CCC(C)Oc1ccc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)cc1.
What is the InChIKey of 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is CLMQCIDZOOSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-4-17(2)30-21-11-9-19(10-12-21)26-22(27)16-25-20-8-5-7-18(15-20)23(28)24-13-6-14-29-3/h5,7-12,15,17,25H,4,6,13-14,16H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.68, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54842282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).