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

C28H33N3O4 — CID 1030509

IUPACN-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2C)CC1
InChIInChI=1S/C28H33N3O4/c1-3-34-26-12-8-7-11-25(26)29-16-18-30(19-17-29)27(32)13-15-31(21-23-9-5-4-6-10-23)28(33)24-14-20-35-22(24)2/h4-12,14,20H,3,13,15-19,21H2,1-2H3
InChIKeyBGKOGRLTKNUVSW-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.37
Rot. Bonds9

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

N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide (PubChem CID 1030509) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
PubChem CID1030509
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2C)CC1
InChIInChI=1S/C28H33N3O4/c1-3-34-26-12-8-7-11-25(26)29-16-18-30(19-17-29)27(32)13-15-31(21-23-9-5-4-6-10-23)28(33)24-14-20-35-22(24)2/h4-12,14,20H,3,13,15-19,21H2,1-2H3
InChIKeyBGKOGRLTKNUVSW-UHFFFAOYSA-N
XLogP4.37
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030489
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
CID 4182971
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
N-benzyl-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]furan-3-carboxamide
CID 1030764
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450
tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 9068973
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 1031541
2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 4810972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide (CID 1030509) is N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide is CCOc1ccccc1N1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2ccoc2C)CC1.
What is the InChIKey of N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide?
The InChIKey is BGKOGRLTKNUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-3-34-26-12-8-7-11-25(26)29-16-18-30(19-17-29)27(32)13-15-31(21-23-9-5-4-6-10-23)28(33)24-14-20-35-22(24)2/h4-12,14,20H,3,13,15-19,21H2,1-2H3.
What are the key properties of N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide?
N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1030509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).