N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide

C24H25N3O2 — CID 25156527

IUPACN-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide
SMILESCCCC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H25N3O2/c1-2-6-23(28)26-16-17-9-11-19(12-10-17)24(29)27-22-15-20(13-14-21(22)25)18-7-4-3-5-8-18/h3-5,7-15H,2,6,16,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyHQSSSERWJSRBQY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.60
Rot. Bonds7

About N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide (PubChem CID 25156527) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide
PubChem CID25156527
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide
SMILESCCCC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H25N3O2/c1-2-6-23(28)26-16-17-9-11-19(12-10-17)24(29)27-22-15-20(13-14-21(22)25)18-7-4-3-5-8-18/h3-5,7-15H,2,6,16,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyHQSSSERWJSRBQY-UHFFFAOYSA-N
XLogP4.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Tacedinaline
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RG-2833
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Grl-0617
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SK-7041
CID 6918714
T-226296
CID 9865843
3-amino-N-[2-[(3-aminobenzoyl)amino]ethyl]benzamide
CID 3146924
N-(3,4-dimethylphenyl)-4-methylbenzamide
CID 668813
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
1-{8-Oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}-3-propylurea
CID 11336543
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11439016
{4-[(2-Aminophenyl)amino]phenyl}(Phenyl)methanone
CID 11737779

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide (CID 25156527) is N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide is CCCC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide?
The InChIKey is HQSSSERWJSRBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-6-23(28)26-16-17-9-11-19(12-10-17)24(29)27-22-15-20(13-14-21(22)25)18-7-4-3-5-8-18/h3-5,7-15H,2,6,16,25H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(butanoylamino)methyl]benzamide is sourced from PubChem (CID 25156527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).