4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide

C24H33N3O3 — CID 54820861

IUPAC4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O3/c1-4-5-6-7-16-30-22-14-12-20(13-15-22)25-17-23(28)27-21-10-8-19(9-11-21)24(29)26-18(2)3/h8-15,18,25H,4-7,16-17H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLGTJEEMGXFWJBP-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.83
Rot. Bonds12

About 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide

4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54820861) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54820861
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O3/c1-4-5-6-7-16-30-22-14-12-20(13-15-22)25-17-23(28)27-21-10-8-19(9-11-21)24(29)26-18(2)3/h8-15,18,25H,4-7,16-17H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLGTJEEMGXFWJBP-UHFFFAOYSA-N
XLogP4.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833379
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
propyl 4-[[2-(4-hexoxyanilino)acetyl]amino]benzoate
CID 54820609
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide (CID 54820861) is 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide is CCCCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is LGTJEEMGXFWJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-5-6-7-16-30-22-14-12-20(13-15-22)25-17-23(28)27-21-10-8-19(9-11-21)24(29)26-18(2)3/h8-15,18,25H,4-7,16-17H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 411.55 g/mol, XLogP of 4.83, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54820861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).