N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide

C28H32N2O3 — CID 43887413

IUPACN-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-2-3-4-5-9-20-33-26-18-14-24(15-19-26)28(32)30-25-16-12-23(13-17-25)27(31)29-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,29,31)(H,30,32)
InChIKeyPOFGPJKQEZAIDJ-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.22
Rot. Bonds12

About N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide

N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide (PubChem CID 43887413) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
PubChem CID43887413
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-2-3-4-5-9-20-33-26-18-14-24(15-19-26)28(32)30-25-16-12-23(13-17-25)27(31)29-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,29,31)(H,30,32)
InChIKeyPOFGPJKQEZAIDJ-UHFFFAOYSA-N
XLogP6.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.22
H-Bond Donors ≤ 52
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-propoxybenzoyl)amino]benzamide
CID 28639944
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
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-(benzylcarbamothioyl)-4-heptoxybenzamide
CID 4950896
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide (CID 43887413) is N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide?
The InChIKey is POFGPJKQEZAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-2-3-4-5-9-20-33-26-18-14-24(15-19-26)28(32)30-25-16-12-23(13-17-25)27(31)29-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide?
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide has a molecular weight of 444.58 g/mol, XLogP of 6.22, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide is sourced from PubChem (CID 43887413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).