1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea

C23H26N4O3 — CID 51953485

IUPAC1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
SMILESCOc1ccc([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)N(C)C)cc1
InChIInChI=1S/C23H26N4O3/c1-27(2)21(17-11-13-18(29-3)14-12-17)16-25-23(28)26-20-10-7-15-24-22(20)30-19-8-5-4-6-9-19/h4-15,21H,16H2,1-3H3,(H2,25,26,28)/t21-/m0/s1
InChIKeyZANIBLZPHQMSEU-NRFANRHFSA-N
MW406.49 g/mol
LogP4.31
Rot. Bonds8

About 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea

1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea (PubChem CID 51953485) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
PubChem CID51953485
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
SMILESCOc1ccc([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)N(C)C)cc1
InChIInChI=1S/C23H26N4O3/c1-27(2)21(17-11-13-18(29-3)14-12-17)16-25-23(28)26-20-10-7-15-24-22(20)30-19-8-5-4-6-9-19/h4-15,21H,16H2,1-3H3,(H2,25,26,28)/t21-/m0/s1
InChIKeyZANIBLZPHQMSEU-NRFANRHFSA-N
XLogP4.31
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
CID 55697090
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94181212
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56554771
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319
1-[(2S)-4-hydroxybutan-2-yl]-3-[2-(4-methoxyphenoxy)-3-pyridinyl]urea
CID 95981174
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55739333
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea (CID 51953485) is 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea is COc1ccc([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)N(C)C)cc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea?
The InChIKey is ZANIBLZPHQMSEU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-27(2)21(17-11-13-18(29-3)14-12-17)16-25-23(28)26-20-10-7-15-24-22(20)30-19-8-5-4-6-9-19/h4-15,21H,16H2,1-3H3,(H2,25,26,28)/t21-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea?
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea has a molecular weight of 406.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea is sourced from PubChem (CID 51953485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).