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

C25H34N2O2 — CID 16889766

IUPACN-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCc2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-29-24-15-10-22(11-16-24)12-17-25(28)26-18-6-7-21-8-13-23(14-9-21)27-19-4-2-3-5-20-27/h8-11,13-16H,2-7,12,17-20H2,1H3,(H,26,28)
InChIKeyMUPBKHRRLDIQOD-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.76
Rot. Bonds9

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

N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 16889766) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
PubChem CID16889766
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCc2ccc(N3CCCCCC3)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-29-24-15-10-22(11-16-24)12-17-25(28)26-18-6-7-21-8-13-23(14-9-21)27-19-4-2-3-5-20-27/h8-11,13-16H,2-7,12,17-20H2,1H3,(H,26,28)
InChIKeyMUPBKHRRLDIQOD-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide (CID 16889766) is N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCCc2ccc(N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is MUPBKHRRLDIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-29-24-15-10-22(11-16-24)12-17-25(28)26-18-6-7-21-8-13-23(14-9-21)27-19-4-2-3-5-20-27/h8-11,13-16H,2-7,12,17-20H2,1H3,(H,26,28).
What are the key properties of N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide?
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 394.56 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 16889766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).