4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide

C21H27NO3 — CID 17340246

IUPAC4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-4-5-6-15-24-19-11-7-17(8-12-19)21(23)22-18-9-13-20(14-10-18)25-16(2)3/h7-14,16H,4-6,15H2,1-3H3,(H,22,23)
InChIKeyCTMJGKUJGBHXAQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.30
Rot. Bonds9

About 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide

4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 17340246) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID17340246
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-4-5-6-15-24-19-11-7-17(8-12-19)21(23)22-18-9-13-20(14-10-18)25-16(2)3/h7-14,16H,4-6,15H2,1-3H3,(H,22,23)
InChIKeyCTMJGKUJGBHXAQ-UHFFFAOYSA-N
XLogP5.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.30
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

N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
N-[(4-butoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952309
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide (CID 17340246) is 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide is CCCCCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is CTMJGKUJGBHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-5-6-15-24-19-11-7-17(8-12-19)21(23)22-18-9-13-20(14-10-18)25-16(2)3/h7-14,16H,4-6,15H2,1-3H3,(H,22,23).
What are the key properties of 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide?
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17340246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).