4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide

C27H31NO3 — CID 4950725

IUPAC4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31NO3/c1-2-3-4-5-9-20-30-25-16-12-23(13-17-25)27(29)28-24-14-18-26(19-15-24)31-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,28,29)
InChIKeyFRHHWACFBCQWMG-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.87
Rot. Bonds12

About 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide

4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 4950725) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID4950725
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31NO3/c1-2-3-4-5-9-20-30-25-16-12-23(13-17-25)27(29)28-24-14-18-26(19-15-24)31-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,28,29)
InChIKeyFRHHWACFBCQWMG-UHFFFAOYSA-N
XLogP6.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.87
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-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
2-[benzyl-[[4-[(4-hexoxybenzoyl)amino]phenyl]methyl]amino]-2-oxoacetic acid
CID 10239010
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-heptoxybenzamide
CID 4951104
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide (CID 4950725) is 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is FRHHWACFBCQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-2-3-4-5-9-20-30-25-16-12-23(13-17-25)27(29)28-24-14-18-26(19-15-24)31-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,28,29).
What are the key properties of 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide?
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 417.55 g/mol, XLogP of 6.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 4950725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).