N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C23H22N4O5 — CID 55526571

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H22N4O5/c28-21(11-12-27-19-5-1-2-6-20(19)32-15-22(27)29)25-16-7-9-17(10-8-16)26-23(30)24-14-18-4-3-13-31-18/h1-10,13H,11-12,14-15H2,(H,25,28)(H2,24,26,30)
InChIKeyZMXHMVQDIJQYQQ-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.36
Rot. Bonds7

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 55526571) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID55526571
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H22N4O5/c28-21(11-12-27-19-5-1-2-6-20(19)32-15-22(27)29)25-16-7-9-17(10-8-16)26-23(30)24-14-18-4-3-13-31-18/h1-10,13H,11-12,14-15H2,(H,25,28)(H2,24,26,30)
InChIKeyZMXHMVQDIJQYQQ-UHFFFAOYSA-N
XLogP3.36
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 86981077
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
3-(furan-2-yl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]propanehydrazide
CID 17431901
1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-phenylthiourea
CID 24644106
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9374640
N-(furan-2-ylmethyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 4573559

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 55526571) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is ZMXHMVQDIJQYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c28-21(11-12-27-19-5-1-2-6-20(19)32-15-22(27)29)25-16-7-9-17(10-8-16)26-23(30)24-14-18-4-3-13-31-18/h1-10,13H,11-12,14-15H2,(H,25,28)(H2,24,26,30).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 434.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 55526571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).