N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide

C24H26N4O4 — CID 4798851

IUPACN-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H26N4O4/c29-23(27-18-7-9-19(10-8-18)28-11-14-31-15-12-28)17-25-22-6-2-1-5-21(22)24(30)26-16-20-4-3-13-32-20/h1-10,13,25H,11-12,14-17H2,(H,26,30)(H,27,29)
InChIKeyXLWGTOKJDZONFZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.10
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 4798851) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
PubChem CID4798851
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H26N4O4/c29-23(27-18-7-9-19(10-8-18)28-11-14-31-15-12-28)17-25-22-6-2-1-5-21(22)24(30)26-16-20-4-3-13-32-20/h1-10,13,25H,11-12,14-17H2,(H,26,30)(H,27,29)
InChIKeyXLWGTOKJDZONFZ-UHFFFAOYSA-N
XLogP3.10
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
N-(furan-2-ylmethyl)-3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834364
2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
CID 39998866
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide (CID 4798851) is N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide is O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is XLWGTOKJDZONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-23(27-18-7-9-19(10-8-18)28-11-14-31-15-12-28)17-25-22-6-2-1-5-21(22)24(30)26-16-20-4-3-13-32-20/h1-10,13,25H,11-12,14-17H2,(H,26,30)(H,27,29).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 434.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 4798851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).