N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C18H18N2O2 — CID 47795985

IUPACN-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESN#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1
InChIInChI=1S/C18H18N2O2/c19-6-7-20(15-4-5-15)18(21)10-14-11-22-17-9-13-3-1-2-12(13)8-16(14)17/h8-9,11,15H,1-5,7,10H2
InChIKeySXMXTFRBLWHELH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.98
Rot. Bonds4

About N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 47795985) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID47795985
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESN#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1
InChIInChI=1S/C18H18N2O2/c19-6-7-20(15-4-5-15)18(21)10-14-11-22-17-9-13-3-1-2-12(13)8-16(14)17/h8-9,11,15H,1-5,7,10H2
InChIKeySXMXTFRBLWHELH-UHFFFAOYSA-N
XLogP2.98
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dimethylbenzo[b]furan-3-yl)-N-(methylethyl)acetamide
CID 1285215
1-(Naphtho[2,1-b]furan-1-ylacetyl)pyrrolidine
CID 829752
N-cyclooctyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2418197
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 1285219
1-[(4,6-Dimethyl-1-benzofuran-3-yl)acetyl]pyrrolidine
CID 2979244
N-(3-methoxypropyl)-2-naphtho[2,1-b]furanylacetamide
CID 1983387
2-naphtho[2,1-b]furan-1-yl-N,N-dipropylacetamide
CID 829751
N,N-diisobutyl-2-naphtho[2,1-b]furan-1-ylacetamide
CID 829766
1-Ethyl-4-(naphtho[2,1-b]furan-1-ylacetyl)piperazine
CID 975057
N-butyl-2-naphtho[2,1-b]furan-1-ylacetamide
CID 1811779
1-[(4,6-Dimethyl-1-benzofuran-3-yl)acetyl]-4-ethylpiperazine
CID 2243457
N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide
CID 2570912

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 47795985) is N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is N#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is SXMXTFRBLWHELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-6-7-20(15-4-5-15)18(21)10-14-11-22-17-9-13-3-1-2-12(13)8-16(14)17/h8-9,11,15H,1-5,7,10H2.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 47795985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).