2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide

C20H26N2O5 — CID 170347624

IUPAC2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide
SMILESCc1oc2ccc(OCC3CCCC3)cc2c1N(C=O)C(C)(CO)C(N)=O
InChIInChI=1S/C20H26N2O5/c1-13-18(22(12-24)20(2,11-23)19(21)25)16-9-15(7-8-17(16)27-13)26-10-14-5-3-4-6-14/h7-9,12,14,23H,3-6,10-11H2,1-2H3,(H2,21,25)
InChIKeyDESFUAGVAJMCQN-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.51
Rot. Bonds8

About 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide

2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide (PubChem CID 170347624) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide
PubChem CID170347624
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide
SMILESCc1oc2ccc(OCC3CCCC3)cc2c1N(C=O)C(C)(CO)C(N)=O
InChIInChI=1S/C20H26N2O5/c1-13-18(22(12-24)20(2,11-23)19(21)25)16-9-15(7-8-17(16)27-13)26-10-14-5-3-4-6-14/h7-9,12,14,23H,3-6,10-11H2,1-2H3,(H2,21,25)
InChIKeyDESFUAGVAJMCQN-UHFFFAOYSA-N
XLogP2.51
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide (CID 170347624) is 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide is Cc1oc2ccc(OCC3CCCC3)cc2c1N(C=O)C(C)(CO)C(N)=O.
What is the InChIKey of 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide?
The InChIKey is DESFUAGVAJMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13-18(22(12-24)20(2,11-23)19(21)25)16-9-15(7-8-17(16)27-13)26-10-14-5-3-4-6-14/h7-9,12,14,23H,3-6,10-11H2,1-2H3,(H2,21,25).
What are the key properties of 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide?
2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopentylmethoxy)-2-methyl-1-benzofuran-3-yl]-formylamino]-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 170347624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).