N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide

C18H22N2O2 — CID 24896972

IUPACN-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2oc3c(c2c1)CCCCC3)N1CCCC1
InChIInChI=1S/C18H22N2O2/c21-18(20-10-4-5-11-20)19-13-8-9-17-15(12-13)14-6-2-1-3-7-16(14)22-17/h8-9,12H,1-7,10-11H2,(H,19,21)
InChIKeyKSZLPUJOQIUZLS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.33
Rot. Bonds1

About N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide

N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide (PubChem CID 24896972) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
PubChem CID24896972
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2oc3c(c2c1)CCCCC3)N1CCCC1
InChIInChI=1S/C18H22N2O2/c21-18(20-10-4-5-11-20)19-13-8-9-17-15(12-13)14-6-2-1-3-7-16(14)22-17/h8-9,12H,1-7,10-11H2,(H,19,21)
InChIKeyKSZLPUJOQIUZLS-UHFFFAOYSA-N
XLogP4.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)morpholine-4-carboxamide
CID 24898077
2-(4-methylpiperazin-1-yl)-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)acetamide
CID 24896741
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
4-methoxy-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 24899449
[(2S)-1-oxo-3-phenyl-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-ylamino)propan-2-yl]carbamic acid
CID 68818606
1-N-(2,3-dimethyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 154757217
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
CID 63653011
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-1-carboxamide
CID 115578699

Frequently Asked Questions

What is the IUPAC name of N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide (CID 24896972) is N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc2oc3c(c2c1)CCCCC3)N1CCCC1.
What is the InChIKey of N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is KSZLPUJOQIUZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(20-10-4-5-11-20)19-13-8-9-17-15(12-13)14-6-2-1-3-7-16(14)22-17/h8-9,12H,1-7,10-11H2,(H,19,21).
What are the key properties of N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide?
N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 24896972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).