N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide

C23H33N3O2 — CID 54815339

IUPACN-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
SMILESO=C(CNCCC1=CCCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H33N3O2/c27-22(18-24-15-14-19-8-4-3-5-9-19)25-21-12-10-20(11-13-21)23(28)26-16-6-1-2-7-17-26/h8,10-13,24H,1-7,9,14-18H2,(H,25,27)
InChIKeyQWLLJJVDYDZAFS-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.12
Rot. Bonds7

About N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide

N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide (PubChem CID 54815339) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
PubChem CID54815339
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
SMILESO=C(CNCCC1=CCCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H33N3O2/c27-22(18-24-15-14-19-8-4-3-5-9-19)25-21-12-10-20(11-13-21)23(28)26-16-6-1-2-7-17-26/h8,10-13,24H,1-7,9,14-18H2,(H,25,27)
InChIKeyQWLLJJVDYDZAFS-UHFFFAOYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54834873
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513
N-(4-chlorophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174094
N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174200
2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54814730
2-[(4-fluorophenyl)methylamino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 24792509
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide (CID 54815339) is N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide is O=C(CNCCC1=CCCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
The InChIKey is QWLLJJVDYDZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22(18-24-15-14-19-8-4-3-5-9-19)25-21-12-10-20(11-13-21)23(28)26-16-6-1-2-7-17-26/h8,10-13,24H,1-7,9,14-18H2,(H,25,27).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide?
N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide is sourced from PubChem (CID 54815339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).