N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide

C27H31NO3 — CID 101044220

IUPACN-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C27H31NO3/c1-3-4-5-6-7-20-31-26-18-14-24(15-19-26)28-27(29)23-10-8-21(9-11-23)22-12-16-25(30-2)17-13-22/h8-19H,3-7,20H2,1-2H3,(H,28,29)
InChIKeyWYYHBYFFBWVLCD-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.96
Rot. Bonds11

About N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide

N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide (PubChem CID 101044220) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
PubChem CID101044220
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC NameN-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C27H31NO3/c1-3-4-5-6-7-20-31-26-18-14-24(15-19-26)28-27(29)23-10-8-21(9-11-23)22-12-16-25(30-2)17-13-22/h8-19H,3-7,20H2,1-2H3,(H,28,29)
InChIKeyWYYHBYFFBWVLCD-UHFFFAOYSA-N
XLogP6.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.96
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-methoxyphenyl)-4-octoxybenzamide
CID 71343101
diethyl [4-[[4-(4-octoxyphenyl)benzoyl]amino]phenyl] phosphate
CID 24822338
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
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
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 11372797

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide?
The IUPAC name of N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide (CID 101044220) is N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide is CCCCCCCOc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide?
The InChIKey is WYYHBYFFBWVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-3-4-5-6-7-20-31-26-18-14-24(15-19-26)28-27(29)23-10-8-21(9-11-23)22-12-16-25(30-2)17-13-22/h8-19H,3-7,20H2,1-2H3,(H,28,29).
What are the key properties of N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide?
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide has a molecular weight of 417.55 g/mol, XLogP of 6.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 101044220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).