N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C26H33N3O4 — CID 54828466

IUPACN-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCC2CCCO2)c1)Nc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C26H33N3O4/c30-25(18-27-21-9-6-11-23(17-21)33-19-24-12-7-15-32-24)28-22-10-5-8-20(16-22)26(31)29-13-3-1-2-4-14-29/h5-6,8-11,16-17,24,27H,1-4,7,12-15,18-19H2,(H,28,30)
InChIKeyNQXUTAPEECTGFV-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.31
Rot. Bonds8

About N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54828466) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54828466
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCC2CCCO2)c1)Nc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C26H33N3O4/c30-25(18-27-21-9-6-11-23(17-21)33-19-24-12-7-15-32-24)28-22-10-5-8-20(16-22)26(31)29-13-3-1-2-4-14-29/h5-6,8-11,16-17,24,27H,1-4,7,12-15,18-19H2,(H,28,30)
InChIKeyNQXUTAPEECTGFV-UHFFFAOYSA-N
XLogP4.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821563
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843525
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54828466) is N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is O=C(CNc1cccc(OCC2CCCO2)c1)Nc1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is NQXUTAPEECTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-25(18-27-21-9-6-11-23(17-21)33-19-24-12-7-15-32-24)28-22-10-5-8-20(16-22)26(31)29-13-3-1-2-4-14-29/h5-6,8-11,16-17,24,27H,1-4,7,12-15,18-19H2,(H,28,30).
What are the key properties of N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 451.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54828466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).