N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C22H23N3O3 — CID 7582099

IUPACN-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H23N3O3/c26-20(15-25-21(27)18-7-3-4-8-19(18)22(25)28)23-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,26)
InChIKeyRTCYIFWDDBCEQA-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 7582099) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID7582099
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H23N3O3/c26-20(15-25-21(27)18-7-3-4-8-19(18)22(25)28)23-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,26)
InChIKeyRTCYIFWDDBCEQA-UHFFFAOYSA-N
XLogP3.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
CID 7584600
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110361923
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 7582099) is N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RTCYIFWDDBCEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(15-25-21(27)18-7-3-4-8-19(18)22(25)28)23-16-9-11-17(12-10-16)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,26).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 7582099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).