N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide

C34H30N4O3 — CID 24752950

IUPACN-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(NC(=O)CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C34H30N4O3/c35-29-12-6-7-13-30(29)37-33(40)26-17-15-25(16-18-26)32(38-31(39)21-14-23-8-2-1-3-9-23)34(41)36-28-20-19-24-10-4-5-11-27(24)22-28/h1-13,15-20,22,32H,14,21,35H2,(H,36,41)(H,37,40)(H,38,39)
InChIKeyZFZXVWUBIHHGKR-UHFFFAOYSA-N
MW542.64 g/mol
LogP6.10
Rot. Bonds9

About N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide

N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide (PubChem CID 24752950) has the molecular formula C34H30N4O3 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide
PubChem CID24752950
Molecular FormulaC34H30N4O3
Molecular Weight542.64 g/mol
Exact Mass542.23
IUPAC NameN-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(NC(=O)CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C34H30N4O3/c35-29-12-6-7-13-30(29)37-33(40)26-17-15-25(16-18-26)32(38-31(39)21-14-23-8-2-1-3-9-23)34(41)36-28-20-19-24-10-4-5-11-27(24)22-28/h1-13,15-20,22,32H,14,21,35H2,(H,36,41)(H,37,40)(H,38,39)
InChIKeyZFZXVWUBIHHGKR-UHFFFAOYSA-N
XLogP6.10
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 56.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide (CID 24752950) is N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C(NC(=O)CCc2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide?
The InChIKey is ZFZXVWUBIHHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O3/c35-29-12-6-7-13-30(29)37-33(40)26-17-15-25(16-18-26)32(38-31(39)21-14-23-8-2-1-3-9-23)34(41)36-28-20-19-24-10-4-5-11-27(24)22-28/h1-13,15-20,22,32H,14,21,35H2,(H,36,41)(H,37,40)(H,38,39).
What are the key properties of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide?
N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide has a molecular weight of 542.64 g/mol, XLogP of 6.10, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(3-phenylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 24752950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).