4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C25H28N4O4 — CID 54845946

IUPAC4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C25H28N4O4/c1-29(2)24(31)13-8-18-5-3-6-21(15-18)26-17-23(30)28-20-11-9-19(10-12-20)25(32)27-16-22-7-4-14-33-22/h3-7,9-12,14-15,26H,8,13,16-17H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyDLNJESKRKCHEHO-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.28
Rot. Bonds10

About 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54845946) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54845946
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C25H28N4O4/c1-29(2)24(31)13-8-18-5-3-6-21(15-18)26-17-23(30)28-20-11-9-19(10-12-20)25(32)27-16-22-7-4-14-33-22/h3-7,9-12,14-15,26H,8,13,16-17H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyDLNJESKRKCHEHO-UHFFFAOYSA-N
XLogP3.28
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
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
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834424
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54845526

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54845946) is 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DLNJESKRKCHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-29(2)24(31)13-8-18-5-3-6-21(15-18)26-17-23(30)28-20-11-9-19(10-12-20)25(32)27-16-22-7-4-14-33-22/h3-7,9-12,14-15,26H,8,13,16-17H2,1-2H3,(H,27,32)(H,28,30).
What are the key properties of 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54845946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).