1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea

C22H33N3O3 — CID 46493943

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
SMILESCCC(CC)C(CNC(=O)NC(C)c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C22H33N3O3/c1-4-17(5-2)19(25-10-12-27-13-11-25)15-23-22(26)24-16(3)21-14-18-8-6-7-9-20(18)28-21/h6-9,14,16-17,19H,4-5,10-13,15H2,1-3H3,(H2,23,24,26)
InChIKeyLRGHEJDAXVZQQQ-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.93
Rot. Bonds8

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea (PubChem CID 46493943) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
PubChem CID46493943
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
SMILESCCC(CC)C(CNC(=O)NC(C)c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C22H33N3O3/c1-4-17(5-2)19(25-10-12-27-13-11-25)15-23-22(26)24-16(3)21-14-18-8-6-7-9-20(18)28-21/h6-9,14,16-17,19H,4-5,10-13,15H2,1-3H3,(H2,23,24,26)
InChIKeyLRGHEJDAXVZQQQ-UHFFFAOYSA-N
XLogP3.93
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea
CID 38309492
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea (CID 46493943) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea is CCC(CC)C(CNC(=O)NC(C)c1cc2ccccc2o1)N1CCOCC1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
The InChIKey is LRGHEJDAXVZQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-4-17(5-2)19(25-10-12-27-13-11-25)15-23-22(26)24-16(3)21-14-18-8-6-7-9-20(18)28-21/h6-9,14,16-17,19H,4-5,10-13,15H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea has a molecular weight of 387.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea is sourced from PubChem (CID 46493943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).