N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide

C29H28N4O4 — CID 54842956

IUPACN-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C29H28N4O4/c34-27(17-8-21-5-2-1-3-6-21)32-24-13-15-25(16-14-24)33-28(35)20-30-23-11-9-22(10-12-23)29(36)31-19-26-7-4-18-37-26/h1-7,9-16,18,30H,8,17,19-20H2,(H,31,36)(H,32,34)(H,33,35)
InChIKeyNUPSDXUENHQKHU-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.83
Rot. Bonds11

About N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide (PubChem CID 54842956) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
PubChem CID54842956
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C29H28N4O4/c34-27(17-8-21-5-2-1-3-6-21)32-24-13-15-25(16-14-24)33-28(35)20-30-23-11-9-22(10-12-23)29(36)31-19-26-7-4-18-37-26/h1-7,9-16,18,30H,8,17,19-20H2,(H,31,36)(H,32,34)(H,33,35)
InChIKeyNUPSDXUENHQKHU-UHFFFAOYSA-N
XLogP4.83
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54845946
4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842807
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-(furan-2-ylmethyl)-3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825672

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide (CID 54842956) is N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide is O=C(CCc1ccccc1)Nc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
The InChIKey is NUPSDXUENHQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c34-27(17-8-21-5-2-1-3-6-21)32-24-13-15-25(16-14-24)33-28(35)20-30-23-11-9-22(10-12-23)29(36)31-19-26-7-4-18-37-26/h1-7,9-16,18,30H,8,17,19-20H2,(H,31,36)(H,32,34)(H,33,35).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide has a molecular weight of 496.57 g/mol, XLogP of 4.83, 11 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-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54842956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).