N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide

C21H28N4O4 — CID 8913720

IUPACN-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H28N4O4/c1-15(2)23-19(26)13-24(3)14-20(27)25(4)18-10-6-5-9-17(18)21(28)22-12-16-8-7-11-29-16/h5-11,15H,12-14H2,1-4H3,(H,22,28)(H,23,26)
InChIKeyHKRSREPLEKSFRK-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.63
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide (PubChem CID 8913720) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
PubChem CID8913720
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H28N4O4/c1-15(2)23-19(26)13-24(3)14-20(27)25(4)18-10-6-5-9-17(18)21(28)22-12-16-8-7-11-29-16/h5-11,15H,12-14H2,1-4H3,(H,22,28)(H,23,26)
InChIKeyHKRSREPLEKSFRK-UHFFFAOYSA-N
XLogP1.63
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide with MolForge

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Related Compounds

2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 55410554
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 43045988
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-hydroxybenzoate
CID 55397483
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 18154760
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 55401207
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34141104
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide (CID 8913720) is N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide is CC(C)NC(=O)CN(C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is HKRSREPLEKSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-15(2)23-19(26)13-24(3)14-20(27)25(4)18-10-6-5-9-17(18)21(28)22-12-16-8-7-11-29-16/h5-11,15H,12-14H2,1-4H3,(H,22,28)(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 400.48 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8913720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).