N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide

C22H28N2O — CID 16889785

IUPACN-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
SMILESO=C(NCCCc1ccc(N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c25-22(20-10-4-3-5-11-20)23-16-8-9-19-12-14-21(15-13-19)24-17-6-1-2-7-18-24/h3-5,10-15H,1-2,6-9,16-18H2,(H,23,25)
InChIKeyYBSOXCYDDKOWEO-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.43
Rot. Bonds6

About N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide

N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide (PubChem CID 16889785) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
PubChem CID16889785
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
SMILESO=C(NCCCc1ccc(N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O/c25-22(20-10-4-3-5-11-20)23-16-8-9-19-12-14-21(15-13-19)24-17-6-1-2-7-18-24/h3-5,10-15H,1-2,6-9,16-18H2,(H,23,25)
InChIKeyYBSOXCYDDKOWEO-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitrobenzamide
CID 16889762
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
CID 16889920
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
CID 16890198
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide?
The IUPAC name of N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide (CID 16889785) is N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide.
What is the SMILES notation for N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide?
The canonical SMILES for N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide is O=C(NCCCc1ccc(N2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide?
The InChIKey is YBSOXCYDDKOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-22(20-10-4-3-5-11-20)23-16-8-9-19-12-14-21(15-13-19)24-17-6-1-2-7-18-24/h3-5,10-15H,1-2,6-9,16-18H2,(H,23,25).
What are the key properties of N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide?
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide is sourced from PubChem (CID 16889785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).