3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide

C24H24N2O3 — CID 54781128

IUPAC3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-2-3-15-29-22-14-8-10-19(17-22)24(28)26-21-13-7-9-18(16-21)23(27)25-20-11-5-4-6-12-20/h4-14,16-17H,2-3,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyLUBPUGKQXQJPGV-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.37
Rot. Bonds8

About 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide

3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide (PubChem CID 54781128) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
PubChem CID54781128
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C24H24N2O3/c1-2-3-15-29-22-14-8-10-19(17-22)24(28)26-21-13-7-9-18(16-21)23(27)25-20-11-5-4-6-12-20/h4-14,16-17H,2-3,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyLUBPUGKQXQJPGV-UHFFFAOYSA-N
XLogP5.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
N-[(4-benzamidophenyl)carbamothioyl]-3-butoxybenzamide
CID 17235751
N-phenyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzamide
CID 54781287
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide?
The IUPAC name of 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide (CID 54781128) is 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide?
The canonical SMILES for 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide is CCCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide?
The InChIKey is LUBPUGKQXQJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-3-15-29-22-14-8-10-19(17-22)24(28)26-21-13-7-9-18(16-21)23(27)25-20-11-5-4-6-12-20/h4-14,16-17H,2-3,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide?
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 54781128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).