1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea

C16H19N3O4 — CID 94162609

IUPAC1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc([C@H](O)CNC(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C16H19N3O4/c1-22-13-6-3-11(4-7-13)14(20)10-18-16(21)19-12-5-8-15(23-2)17-9-12/h3-9,14,20H,10H2,1-2H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyULHYEIBXZNOGNV-CQSZACIVSA-N
MW317.35 g/mol
LogP1.95
Rot. Bonds6

About 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea

1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 94162609) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
PubChem CID94162609
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc([C@H](O)CNC(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C16H19N3O4/c1-22-13-6-3-11(4-7-13)14(20)10-18-16(21)19-12-5-8-15(23-2)17-9-12/h3-9,14,20H,10H2,1-2H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyULHYEIBXZNOGNV-CQSZACIVSA-N
XLogP1.95
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94174229
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(6-methoxy-3-pyridinyl)oxamide
CID 51971308
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55750339
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea (CID 94162609) is 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea is COc1ccc([C@H](O)CNC(=O)Nc2ccc(OC)nc2)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is ULHYEIBXZNOGNV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-13-6-3-11(4-7-13)14(20)10-18-16(21)19-12-5-8-15(23-2)17-9-12/h3-9,14,20H,10H2,1-2H3,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea?
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 317.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 94162609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).