5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

C28H39N3O2 — CID 4207320

IUPAC5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C28H39N3O2/c1-5-6-7-22-8-10-23(11-9-22)27(32)30-24-12-13-26(31-16-14-21(4)15-17-31)25(18-24)28(33)29-19-20(2)3/h8-13,18,20-21H,5-7,14-17,19H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyHSDLUARGZMBDQA-UHFFFAOYSA-N
MW449.64 g/mol
LogP5.90
Rot. Bonds9

About 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (PubChem CID 4207320) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
PubChem CID4207320
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C28H39N3O2/c1-5-6-7-22-8-10-23(11-9-22)27(32)30-24-12-13-26(31-16-14-21(4)15-17-31)25(18-24)28(33)29-19-20(2)3/h8-13,18,20-21H,5-7,14-17,19H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyHSDLUARGZMBDQA-UHFFFAOYSA-N
XLogP5.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
CID 42751073
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-[(4-pentylbenzoyl)amino]benzamide
CID 3663772
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4297943
5-[(4-butoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 3526852
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211
5-[(4-ethylbenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 4288926
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (CID 4207320) is 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is CCCCc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCC(C)C)c2)cc1.
What is the InChIKey of 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is HSDLUARGZMBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-5-6-7-22-8-10-23(11-9-22)27(32)30-24-12-13-26(31-16-14-21(4)15-17-31)25(18-24)28(33)29-19-20(2)3/h8-13,18,20-21H,5-7,14-17,19H2,1-4H3,(H,29,33)(H,30,32).
What are the key properties of 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 449.64 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4207320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).