N-(4-methoxyphenyl)-4-octoxybenzamide

C22H29NO3 — CID 71343101

IUPACN-(4-methoxyphenyl)-4-octoxybenzamide
SMILESCCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-3-4-5-6-7-8-17-26-21-13-9-18(10-14-21)22(24)23-19-11-15-20(25-2)16-12-19/h9-16H,3-8,17H2,1-2H3,(H,23,24)
InChIKeyBUDDMBOSQXHLCN-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.69
Rot. Bonds11

About N-(4-methoxyphenyl)-4-octoxybenzamide

N-(4-methoxyphenyl)-4-octoxybenzamide (PubChem CID 71343101) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-octoxybenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-octoxybenzamide
PubChem CID71343101
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-(4-methoxyphenyl)-4-octoxybenzamide
SMILESCCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-3-4-5-6-7-8-17-26-21-13-9-18(10-14-21)22(24)23-19-11-15-20(25-2)16-12-19/h9-16H,3-8,17H2,1-2H3,(H,23,24)
InChIKeyBUDDMBOSQXHLCN-UHFFFAOYSA-N
XLogP5.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.69
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-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-octoxybenzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-octoxybenzamide (CID 71343101) is N-(4-methoxyphenyl)-4-octoxybenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-octoxybenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-octoxybenzamide is CCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-octoxybenzamide?
The InChIKey is BUDDMBOSQXHLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-4-5-6-7-8-17-26-21-13-9-18(10-14-21)22(24)23-19-11-15-20(25-2)16-12-19/h9-16H,3-8,17H2,1-2H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-4-octoxybenzamide?
N-(4-methoxyphenyl)-4-octoxybenzamide has a molecular weight of 355.48 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-octoxybenzamide is sourced from PubChem (CID 71343101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).