1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea

C24H27N3O3 — CID 112825840

IUPAC1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C24H27N3O3/c1-3-21-20(19-11-4-5-12-22(19)30-21)16-26(2)24(29)25-17-9-8-10-18(15-17)27-14-7-6-13-23(27)28/h4-5,8-12,15H,3,6-7,13-14,16H2,1-2H3,(H,25,29)
InChIKeyPLCFOKXBLQVBGC-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.18
Rot. Bonds5

About 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea

1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea (PubChem CID 112825840) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
PubChem CID112825840
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C24H27N3O3/c1-3-21-20(19-11-4-5-12-22(19)30-21)16-26(2)24(29)25-17-9-8-10-18(15-17)27-14-7-6-13-23(27)28/h4-5,8-12,15H,3,6-7,13-14,16H2,1-2H3,(H,25,29)
InChIKeyPLCFOKXBLQVBGC-UHFFFAOYSA-N
XLogP5.18
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 86986903
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 78893656
(2R)-2-ethyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-4-carboxamide
CID 124625433
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 32534114
3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 55882454
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
2-(4-bromophenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46425011
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea (CID 112825840) is 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea is CCc1oc2ccccc2c1CN(C)C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The InChIKey is PLCFOKXBLQVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-21-20(19-11-4-5-12-22(19)30-21)16-26(2)24(29)25-17-9-8-10-18(15-17)27-14-7-6-13-23(27)28/h4-5,8-12,15H,3,6-7,13-14,16H2,1-2H3,(H,25,29).
What are the key properties of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea has a molecular weight of 405.50 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 112825840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).