N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C19H26N2O3 — CID 155944309

IUPACN-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCc1ccc2c(c1C)OCC2NC(=O)C(C)NC(=O)C1CCCC1
InChIInChI=1S/C19H26N2O3/c1-11-8-9-15-16(10-24-17(15)12(11)2)21-18(22)13(3)20-19(23)14-6-4-5-7-14/h8-9,13-14,16H,4-7,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyHQCPDBBCFGVVDB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.55
Rot. Bonds4

About N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 155944309) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID155944309
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCc1ccc2c(c1C)OCC2NC(=O)C(C)NC(=O)C1CCCC1
InChIInChI=1S/C19H26N2O3/c1-11-8-9-15-16(10-24-17(15)12(11)2)21-18(22)13(3)20-19(23)14-6-4-5-7-14/h8-9,13-14,16H,4-7,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyHQCPDBBCFGVVDB-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 155944309) is N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide is Cc1ccc2c(c1C)OCC2NC(=O)C(C)NC(=O)C1CCCC1.
What is the InChIKey of N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is HQCPDBBCFGVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11-8-9-15-16(10-24-17(15)12(11)2)21-18(22)13(3)20-19(23)14-6-4-5-7-14/h8-9,13-14,16H,4-7,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 155944309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).