2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide

C21H34N2O2 — CID 54814498

IUPAC2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-2-3-4-7-10-17-25-20-13-11-19(12-14-20)22-21(24)18-23-15-8-5-6-9-16-23/h11-14H,2-10,15-18H2,1H3,(H,22,24)
InChIKeyYGQPHGVBZAZOHV-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.85
Rot. Bonds10

About 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide

2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide (PubChem CID 54814498) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
PubChem CID54814498
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-2-3-4-7-10-17-25-20-13-11-19(12-14-20)22-21(24)18-23-15-8-5-6-9-16-23/h11-14H,2-10,15-18H2,1H3,(H,22,24)
InChIKeyYGQPHGVBZAZOHV-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.85
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

2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
CID 101362582
N-(4-decoxyphenyl)butanamide
CID 143303175
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
2-cyclopentyl-N-(4-hexoxyphenyl)acetamide
CID 54786135

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide (CID 54814498) is 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide is CCCCCCCOc1ccc(NC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide?
The InChIKey is YGQPHGVBZAZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-2-3-4-7-10-17-25-20-13-11-19(12-14-20)22-21(24)18-23-15-8-5-6-9-16-23/h11-14H,2-10,15-18H2,1H3,(H,22,24).
What are the key properties of 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide?
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide has a molecular weight of 346.51 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide is sourced from PubChem (CID 54814498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).