1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea

C21H27N3O3 — CID 17497858

IUPAC1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
SMILESCOc1ccccc1NC(=O)NCC(c1ccccc1OC)N1CCCC1
InChIInChI=1S/C21H27N3O3/c1-26-19-11-5-3-9-16(19)18(24-13-7-8-14-24)15-22-21(25)23-17-10-4-6-12-20(17)27-2/h3-6,9-12,18H,7-8,13-15H2,1-2H3,(H2,22,23,25)
InChIKeyKJZHKAMNLQZJJP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.66
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea

1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea (PubChem CID 17497858) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
PubChem CID17497858
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
SMILESCOc1ccccc1NC(=O)NCC(c1ccccc1OC)N1CCCC1
InChIInChI=1S/C21H27N3O3/c1-26-19-11-5-3-9-16(19)18(24-13-7-8-14-24)15-22-21(25)23-17-10-4-6-12-20(17)27-2/h3-6,9-12,18H,7-8,13-15H2,1-2H3,(H2,22,23,25)
InChIKeyKJZHKAMNLQZJJP-UHFFFAOYSA-N
XLogP3.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 43956388
1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 30293942
1-[4-(difluoromethoxy)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 55695296
1-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95343785
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 60588964
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
1-(2-ethoxyphenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 55696370
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea (CID 17497858) is 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea is COc1ccccc1NC(=O)NCC(c1ccccc1OC)N1CCCC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is KJZHKAMNLQZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-11-5-3-9-16(19)18(24-13-7-8-14-24)15-22-21(25)23-17-10-4-6-12-20(17)27-2/h3-6,9-12,18H,7-8,13-15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea?
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 369.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 17497858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).