2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide

C27H30N2O3 — CID 4956550

IUPAC2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
SMILESCCCCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C27H30N2O3/c1-3-4-19-32-23-14-10-13-22(20-23)27(31)29(2)25-16-9-8-15-24(25)26(30)28-18-17-21-11-6-5-7-12-21/h5-16,20H,3-4,17-19H2,1-2H3,(H,28,30)
InChIKeyFIJYHCNITDKUIF-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.11
Rot. Bonds10

About 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide

2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide (PubChem CID 4956550) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
PubChem CID4956550
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
SMILESCCCCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C27H30N2O3/c1-3-4-19-32-23-14-10-13-22(20-23)27(31)29(2)25-16-9-8-15-24(25)26(30)28-18-17-21-11-6-5-7-12-21/h5-16,20H,3-4,17-19H2,1-2H3,(H,28,30)
InChIKeyFIJYHCNITDKUIF-UHFFFAOYSA-N
XLogP5.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[3-(3-methylbutoxy)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 4981732
N-benzyl-2-[methyl-(3-propoxybenzoyl)amino]benzamide
CID 4960086
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676
N-benzyl-2-[(2-butoxybenzoyl)-methylamino]benzamide
CID 4941063
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
2-[benzoylcarbamothioyl(methyl)amino]-N-(2-phenylethyl)benzamide
CID 4930713
4-chloro-N-methyl-3-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 4930557
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
3-bromo-N-[methyl-[2-(2-phenylethylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17343078
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
2,6-dibutoxy-N-(2-phenylethyl)benzamide
CID 3790486

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide (CID 4956550) is 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide is CCCCOc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is FIJYHCNITDKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-4-19-32-23-14-10-13-22(20-23)27(31)29(2)25-16-9-8-15-24(25)26(30)28-18-17-21-11-6-5-7-12-21/h5-16,20H,3-4,17-19H2,1-2H3,(H,28,30).
What are the key properties of 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide?
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4956550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).