N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide

C21H25N3O5 — CID 4274569

IUPACN-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CN2C(=O)COc3ccccc32)o1
InChIInChI=1S/C21H25N3O5/c25-20-15-28-18-5-2-1-4-17(18)24(20)14-16-6-7-19(29-16)21(26)22-8-3-9-23-10-12-27-13-11-23/h1-2,4-7H,3,8-15H2,(H,22,26)
InChIKeyAEEFRBILZNDHET-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.66
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide

N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide (PubChem CID 4274569) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
PubChem CID4274569
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(CN2C(=O)COc3ccccc32)o1
InChIInChI=1S/C21H25N3O5/c25-20-15-28-18-5-2-1-4-17(18)24(20)14-16-6-7-19(29-16)21(26)22-8-3-9-23-10-12-27-13-11-23/h1-2,4-7H,3,8-15H2,(H,22,26)
InChIKeyAEEFRBILZNDHET-UHFFFAOYSA-N
XLogP1.66
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4027391
N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786181
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 42788139
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
4-[3-oxo-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propylamino]propyl]benzoic acid
CID 119186371
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 3252883
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 3244186
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 3273528
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide (CID 4274569) is N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide is O=C(NCCCN1CCOCC1)c1ccc(CN2C(=O)COc3ccccc32)o1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is AEEFRBILZNDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c25-20-15-28-18-5-2-1-4-17(18)24(20)14-16-6-7-19(29-16)21(26)22-8-3-9-23-10-12-27-13-11-23/h1-2,4-7H,3,8-15H2,(H,22,26).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4274569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).