1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

C19H25N3O2 — CID 111414422

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
SMILESCc1cccnc1C(NC(=O)NC(CO)c1ccccc1)C(C)C
InChIInChI=1S/C19H25N3O2/c1-13(2)17(18-14(3)8-7-11-20-18)22-19(24)21-16(12-23)15-9-5-4-6-10-15/h4-11,13,16-17,23H,12H2,1-3H3,(H2,21,22,24)
InChIKeyXEASUPNMYSIRJK-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.12
Rot. Bonds6

About 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (PubChem CID 111414422) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
PubChem CID111414422
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
SMILESCc1cccnc1C(NC(=O)NC(CO)c1ccccc1)C(C)C
InChIInChI=1S/C19H25N3O2/c1-13(2)17(18-14(3)8-7-11-20-18)22-19(24)21-16(12-23)15-9-5-4-6-10-15/h4-11,13,16-17,23H,12H2,1-3H3,(H2,21,22,24)
InChIKeyXEASUPNMYSIRJK-UHFFFAOYSA-N
XLogP3.12
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880
3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119885548
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414440
1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
CID 110901372
1-(2-ethyl-2-hydroxybutyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414441
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111631045
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119133858
1-(1-adamantyl)-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 99808511

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (CID 111414422) is 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is Cc1cccnc1C(NC(=O)NC(CO)c1ccccc1)C(C)C.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
The InChIKey is XEASUPNMYSIRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)17(18-14(3)8-7-11-20-18)22-19(24)21-16(12-23)15-9-5-4-6-10-15/h4-11,13,16-17,23H,12H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is sourced from PubChem (CID 111414422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).