N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide

C23H31N3O4 — CID 54825625

IUPACN-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCOCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-4-17(3)25-23(28)18-6-8-20(9-7-18)26-22(27)16-24-19-10-12-21(13-11-19)30-15-14-29-5-2/h6-13,17,24H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYQOQLHPICXKOBB-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.68
Rot. Bonds12

About N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide

N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54825625) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54825625
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCOCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-4-17(3)25-23(28)18-6-8-20(9-7-18)26-22(27)16-24-19-10-12-21(13-11-19)30-15-14-29-5-2/h6-13,17,24H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYQOQLHPICXKOBB-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846095
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-[4-(2-ethoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817765
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide (CID 54825625) is N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide is CCOCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)CC)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is YQOQLHPICXKOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-4-17(3)25-23(28)18-6-8-20(9-7-18)26-22(27)16-24-19-10-12-21(13-11-19)30-15-14-29-5-2/h6-13,17,24H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide?
N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]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 N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54825625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).