2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide

C23H25N3O4 — CID 78350471

IUPAC2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide
SMILESCOc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCCN)c2)c1
InChIInChI=1S/C23H25N3O4/c1-29-20-13-18(12-19(27)15-20)25-17-8-9-21(22(14-17)30-11-5-10-24)23(28)26-16-6-3-2-4-7-16/h2-4,6-9,12-15,25,27H,5,10-11,24H2,1H3,(H,26,28)
InChIKeyTUABKEMVLJKHPG-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.12
Rot. Bonds9

About 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide

2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide (PubChem CID 78350471) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide
PubChem CID78350471
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide
SMILESCOc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCCN)c2)c1
InChIInChI=1S/C23H25N3O4/c1-29-20-13-18(12-19(27)15-20)25-17-8-9-21(22(14-17)30-11-5-10-24)23(28)26-16-6-3-2-4-7-16/h2-4,6-9,12-15,25,27H,5,10-11,24H2,1H3,(H,26,28)
InChIKeyTUABKEMVLJKHPG-UHFFFAOYSA-N
XLogP4.12
TPSA105.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-hydroxy-5-methoxyanilino)-2-(phenylcarbamoyl)phenoxy]propylazanium
CID 78350470
3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 90697122
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide
CID 46228043
N-(4-carbamoylphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943115
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide?
The IUPAC name of 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide (CID 78350471) is 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide?
The canonical SMILES for 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide is COc1cc(O)cc(Nc2ccc(C(=O)Nc3ccccc3)c(OCCCN)c2)c1.
What is the InChIKey of 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide?
The InChIKey is TUABKEMVLJKHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-20-13-18(12-19(27)15-20)25-17-8-9-21(22(14-17)30-11-5-10-24)23(28)26-16-6-3-2-4-7-16/h2-4,6-9,12-15,25,27H,5,10-11,24H2,1H3,(H,26,28).
What are the key properties of 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide?
2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide has a molecular weight of 407.47 g/mol, XLogP of 4.12, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-4-(3-hydroxy-5-methoxyanilino)-N-phenylbenzamide is sourced from PubChem (CID 78350471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).