4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide

C21H27NO2 — CID 4935004

IUPAC4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-7-12-24-19-10-8-18(9-11-19)21(23)22-20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,23)
InChIKeyIYUVUOWIGQZWRX-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.43
Rot. Bonds7

About 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide

4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 4935004) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID4935004
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-7-12-24-19-10-8-18(9-11-19)21(23)22-20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,23)
InChIKeyIYUVUOWIGQZWRX-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]benzamide
CID 26713846
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 19170785
4-pentoxybenzohydrazide
CID 2727702
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143
4-heptoxy-N-methylbenzamide
CID 3291691
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
4-decoxy-N-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 124529326

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide (CID 4935004) is 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide is CCCCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is IYUVUOWIGQZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-6-7-12-24-19-10-8-18(9-11-19)21(23)22-20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,23).
What are the key properties of 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide?
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 4935004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).