N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide

C22H30N4O3 — CID 86928259

IUPACN-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
SMILESCC(C)N1CCN(C(C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H30N4O3/c1-16(2)25-10-12-26(13-11-25)17(3)21(27)24-20-9-5-4-8-19(20)22(28)23-15-18-7-6-14-29-18/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyAODAAFWBVOUCBP-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.56
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide

N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide (PubChem CID 86928259) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
PubChem CID86928259
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
SMILESCC(C)N1CCN(C(C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C22H30N4O3/c1-16(2)25-10-12-26(13-11-25)17(3)21(27)24-20-9-5-4-8-19(20)22(28)23-15-18-7-6-14-29-18/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyAODAAFWBVOUCBP-UHFFFAOYSA-N
XLogP2.56
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 86946294
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 31126851
2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 112811103
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
N-(furan-2-ylmethyl)-2-[[(2S)-2-(4-methyl-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 2234210

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide (CID 86928259) is N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide is CC(C)N1CCN(C(C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide?
The InChIKey is AODAAFWBVOUCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)25-10-12-26(13-11-25)17(3)21(27)24-20-9-5-4-8-19(20)22(28)23-15-18-7-6-14-29-18/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide has a molecular weight of 398.51 g/mol, XLogP of 2.56, 7 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-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 86928259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).