3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea

C26H37N3O2 — CID 42708507

IUPAC3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCCc1ccc(NC(=O)N(CCCN2CCCCC2C)Cc2ccccc2OC)cc1
InChIInChI=1S/C26H37N3O2/c1-4-22-13-15-24(16-14-22)27-26(30)29(20-23-11-5-6-12-25(23)31-3)19-9-18-28-17-8-7-10-21(28)2/h5-6,11-16,21H,4,7-10,17-20H2,1-3H3,(H,27,30)
InChIKeyFNAPVKQOJHCLGG-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.56
Rot. Bonds9

About 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea

3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 42708507) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID42708507
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCCc1ccc(NC(=O)N(CCCN2CCCCC2C)Cc2ccccc2OC)cc1
InChIInChI=1S/C26H37N3O2/c1-4-22-13-15-24(16-14-22)27-26(30)29(20-23-11-5-6-12-25(23)31-3)19-9-18-28-17-8-7-10-21(28)2/h5-6,11-16,21H,4,7-10,17-20H2,1-3H3,(H,27,30)
InChIKeyFNAPVKQOJHCLGG-UHFFFAOYSA-N
XLogP5.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-phenylurea
CID 42700747
2-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708096
2-(4-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 42708101
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42724357
3-(4-methoxyphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-[(3-methylthiophen-2-yl)methyl]urea
CID 42703465
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 42708840
3-(2-methylphenyl)-1-[3-(2-methylpiperidin-1-yl)propyl]-1-(pyridin-4-ylmethyl)urea
CID 42700766
1-[(4-chlorophenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42708841
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 42708491
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111215431
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 42708507) is 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea is CCc1ccc(NC(=O)N(CCCN2CCCCC2C)Cc2ccccc2OC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is FNAPVKQOJHCLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-4-22-13-15-24(16-14-22)27-26(30)29(20-23-11-5-6-12-25(23)31-3)19-9-18-28-17-8-7-10-21(28)2/h5-6,11-16,21H,4,7-10,17-20H2,1-3H3,(H,27,30).
What are the key properties of 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea?
3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 423.60 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[(2-methoxyphenyl)methyl]-1-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 42708507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).