N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide

C17H24N2O2 — CID 51197534

IUPACN-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCCC2)cc1)C1CCCO1
InChIInChI=1S/C17H24N2O2/c20-17(16-6-5-13-21-16)18-14-7-9-15(10-8-14)19-11-3-1-2-4-12-19/h7-10,16H,1-6,11-13H2,(H,18,20)
InChIKeyBWRKJJVQHOXGPI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.18
Rot. Bonds3

About N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide

N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide (PubChem CID 51197534) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
PubChem CID51197534
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCCC2)cc1)C1CCCO1
InChIInChI=1S/C17H24N2O2/c20-17(16-6-5-13-21-16)18-14-7-9-15(10-8-14)19-11-3-1-2-4-12-19/h7-10,16H,1-6,11-13H2,(H,18,20)
InChIKeyBWRKJJVQHOXGPI-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808206
N-(2-methyl-5-piperidin-1-ylphenyl)oxolane-2-carboxamide
CID 110362184
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 112984476

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide (CID 51197534) is N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(N2CCCCCC2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is BWRKJJVQHOXGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(16-6-5-13-21-16)18-14-7-9-15(10-8-14)19-11-3-1-2-4-12-19/h7-10,16H,1-6,11-13H2,(H,18,20).
What are the key properties of N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide?
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 51197534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).