N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide

C22H29N3O3 — CID 1030489

IUPACN-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCN1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2C)CC1
InChIInChI=1S/C22H29N3O3/c1-3-23-12-14-24(15-13-23)21(26)9-11-25(17-19-7-5-4-6-8-19)22(27)20-10-16-28-18(20)2/h4-8,10,16H,3,9,11-15,17H2,1-2H3
InChIKeyAYCQUTHOPLILKU-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.78
Rot. Bonds7

About N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide

N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide (PubChem CID 1030489) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
PubChem CID1030489
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCN1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2C)CC1
InChIInChI=1S/C22H29N3O3/c1-3-23-12-14-24(15-13-23)21(26)9-11-25(17-19-7-5-4-6-8-19)22(27)20-10-16-28-18(20)2/h4-8,10,16H,3,9,11-15,17H2,1-2H3
InChIKeyAYCQUTHOPLILKU-UHFFFAOYSA-N
XLogP2.78
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030509
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
N-[3-(benzhydrylamino)-3-oxopropyl]-N-benzyl-2-methylfuran-3-carboxamide
CID 42779867
N-benzyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide
CID 1030553
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
CID 42703548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide (CID 1030489) is N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide is CCN1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2C)CC1.
What is the InChIKey of N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide?
The InChIKey is AYCQUTHOPLILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-23-12-14-24(15-13-23)21(26)9-11-25(17-19-7-5-4-6-8-19)22(27)20-10-16-28-18(20)2/h4-8,10,16H,3,9,11-15,17H2,1-2H3.
What are the key properties of N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide?
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1030489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).