N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

C19H24N2O5 — CID 6722834

IUPACN-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H](CO)C(=O)N3CCCCCC3)oc12
InChIInChI=1S/C19H24N2O5/c1-25-15-8-6-7-13-11-16(26-17(13)15)18(23)20-14(12-22)19(24)21-9-4-2-3-5-10-21/h6-8,11,14,22H,2-5,9-10,12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyWSCAFYHJONFQMU-AWEZNQCLSA-N
MW360.41 g/mol
LogP1.93
Rot. Bonds5

About N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 6722834) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID6722834
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H](CO)C(=O)N3CCCCCC3)oc12
InChIInChI=1S/C19H24N2O5/c1-25-15-8-6-7-13-11-16(26-17(13)15)18(23)20-14(12-22)19(24)21-9-4-2-3-5-10-21/h6-8,11,14,22H,2-5,9-10,12H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyWSCAFYHJONFQMU-AWEZNQCLSA-N
XLogP1.93
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722844
N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722862
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122317401
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
7-methoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-benzofuran-2-carboxamide
CID 90492054
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 6722834) is N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@@H](CO)C(=O)N3CCCCCC3)oc12.
What is the InChIKey of N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is WSCAFYHJONFQMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-25-15-8-6-7-13-11-16(26-17(13)15)18(23)20-14(12-22)19(24)21-9-4-2-3-5-10-21/h6-8,11,14,22H,2-5,9-10,12H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6722834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).