3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide

C32H47N3O4 — CID 54418629

IUPAC3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCN3CCCCC3)ccc2OC)cc1
InChIInChI=1S/C32H47N3O4/c1-3-4-5-6-7-8-9-13-24-39-28-17-14-26(15-18-28)32(37)34-29-25-27(16-19-30(29)38-2)31(36)33-20-23-35-21-11-10-12-22-35/h14-19,25H,3-13,20-24H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyVZFAUTOHTSPTCS-UHFFFAOYSA-N
MW537.75 g/mol
LogP6.68
Rot. Bonds17

About 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide

3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 54418629) has the molecular formula C32H47N3O4 and a molecular weight of 537.75 g/mol. Its IUPAC name is 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID54418629
Molecular FormulaC32H47N3O4
Molecular Weight537.75 g/mol
Exact Mass537.36
IUPAC Name3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCN3CCCCC3)ccc2OC)cc1
InChIInChI=1S/C32H47N3O4/c1-3-4-5-6-7-8-9-13-24-39-28-17-14-26(15-18-28)32(37)34-29-25-27(16-19-30(29)38-2)31(36)33-20-23-35-21-11-10-12-22-35/h14-19,25H,3-13,20-24H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyVZFAUTOHTSPTCS-UHFFFAOYSA-N
XLogP6.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.75
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
CID 19813861
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
3-[(4-decoxybenzoyl)amino]-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 19813902
N-butyl-3-[(4-hexadecoxybenzoyl)amino]-4-methylsulfanylbenzamide
CID 19813906
3,4-dimethoxy-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 3078820
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788

Frequently Asked Questions

What is the IUPAC name of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide (CID 54418629) is 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide is CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCN3CCCCC3)ccc2OC)cc1.
What is the InChIKey of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is VZFAUTOHTSPTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O4/c1-3-4-5-6-7-8-9-13-24-39-28-17-14-26(15-18-28)32(37)34-29-25-27(16-19-30(29)38-2)31(36)33-20-23-35-21-11-10-12-22-35/h14-19,25H,3-13,20-24H2,1-2H3,(H,33,36)(H,34,37).
What are the key properties of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 537.75 g/mol, XLogP of 6.68, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 54418629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).