3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide

C16H18N2O3 — CID 44576404

IUPAC3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide
SMILESCNC(=O)c1ccc2occ(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C16H18N2O3/c1-17-15(19)11-4-5-14-13(8-11)12(9-21-14)6-7-18-16(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyHPNFNZLUXKUCMM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.86
Rot. Bonds5

About 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide

3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide (PubChem CID 44576404) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide
PubChem CID44576404
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide
SMILESCNC(=O)c1ccc2occ(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C16H18N2O3/c1-17-15(19)11-4-5-14-13(8-11)12(9-21-14)6-7-18-16(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyHPNFNZLUXKUCMM-UHFFFAOYSA-N
XLogP1.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide (CID 44576404) is 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide is CNC(=O)c1ccc2occ(CCNC(=O)C3CC3)c2c1.
What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide?
The InChIKey is HPNFNZLUXKUCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-15(19)11-4-5-14-13(8-11)12(9-21-14)6-7-18-16(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide?
3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropanecarbonylamino)ethyl]-N-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44576404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).