N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

C23H25N3O6 — CID 6722855

IUPACN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(N4CCOCC4)cc3)oc12
InChIInChI=1S/C23H25N3O6/c1-30-19-4-2-3-15-13-20(32-21(15)19)23(29)25-18(14-27)22(28)24-16-5-7-17(8-6-16)26-9-11-31-12-10-26/h2-8,13,18,27H,9-12,14H2,1H3,(H,24,28)(H,25,29)/t18-/m0/s1
InChIKeyLLXLBRNMONVWKL-SFHVURJKSA-N
MW439.47 g/mol
LogP2.01
Rot. Bonds7

About N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 6722855) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID6722855
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(N4CCOCC4)cc3)oc12
InChIInChI=1S/C23H25N3O6/c1-30-19-4-2-3-15-13-20(32-21(15)19)23(29)25-18(14-27)22(28)24-16-5-7-17(8-6-16)26-9-11-31-12-10-26/h2-8,13,18,27H,9-12,14H2,1H3,(H,24,28)(H,25,29)/t18-/m0/s1
InChIKeyLLXLBRNMONVWKL-SFHVURJKSA-N
XLogP2.01
TPSA113.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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]-3-methoxybenzamide
CID 6723845
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722834
N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722844
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724682
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
CID 4170146
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 6722855) is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(N4CCOCC4)cc3)oc12.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is LLXLBRNMONVWKL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-30-19-4-2-3-15-13-20(32-21(15)19)23(29)25-18(14-27)22(28)24-16-5-7-17(8-6-16)26-9-11-31-12-10-26/h2-8,13,18,27H,9-12,14H2,1H3,(H,24,28)(H,25,29)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6722855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).