N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide

C30H37N3O3 — CID 54838884

IUPACN-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)c1
InChIInChI=1S/C30H37N3O3/c1-3-5-6-7-11-20-36-28-19-13-16-26(22-28)32-29(34)23-31-25-15-12-14-24(21-25)30(35)33(4-2)27-17-9-8-10-18-27/h8-10,12-19,21-22,31H,3-7,11,20,23H2,1-2H3,(H,32,34)
InChIKeyYXBSHZKZVWTQIF-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.75
Rot. Bonds14

About N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide

N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide (PubChem CID 54838884) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
PubChem CID54838884
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)c1
InChIInChI=1S/C30H37N3O3/c1-3-5-6-7-11-20-36-28-19-13-16-26(22-28)32-29(34)23-31-25-15-12-14-24(21-25)30(35)33(4-2)27-17-9-8-10-18-27/h8-10,12-19,21-22,31H,3-7,11,20,23H2,1-2H3,(H,32,34)
InChIKeyYXBSHZKZVWTQIF-UHFFFAOYSA-N
XLogP6.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54841928
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
3-[[2-(3-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54823185
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54824843

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide (CID 54838884) is N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide is CCCCCCCOc1cccc(NC(=O)CNc2cccc(C(=O)N(CC)c3ccccc3)c2)c1.
What is the InChIKey of N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
The InChIKey is YXBSHZKZVWTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-3-5-6-7-11-20-36-28-19-13-16-26(22-28)32-29(34)23-31-25-15-12-14-24(21-25)30(35)33(4-2)27-17-9-8-10-18-27/h8-10,12-19,21-22,31H,3-7,11,20,23H2,1-2H3,(H,32,34).
What are the key properties of N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide?
N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide has a molecular weight of 487.64 g/mol, XLogP of 6.75, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).