N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide

C23H24N4O4 — CID 54835380

IUPACN-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H24N4O4/c1-2-21(28)26-19-11-9-17(10-12-19)24-15-22(29)27-18-7-5-16(6-8-18)23(30)25-14-20-4-3-13-31-20/h3-13,24H,2,14-15H2,1H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyLGSQXRANUZJNPN-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.61
Rot. Bonds9

About N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54835380) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54835380
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C23H24N4O4/c1-2-21(28)26-19-11-9-17(10-12-19)24-15-22(29)27-18-7-5-16(6-8-18)23(30)25-14-20-4-3-13-31-20/h3-13,24H,2,14-15H2,1H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyLGSQXRANUZJNPN-UHFFFAOYSA-N
XLogP3.61
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842807
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide (CID 54835380) is N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide is CCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is LGSQXRANUZJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-21(28)26-19-11-9-17(10-12-19)24-15-22(29)27-18-7-5-16(6-8-18)23(30)25-14-20-4-3-13-31-20/h3-13,24H,2,14-15H2,1H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54835380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).