1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

C18H23N3O2 — CID 111455444

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N[C@H](CCO)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O2/c1-14-7-8-15(13-20-14)9-11-19-18(23)21-17(10-12-22)16-5-3-2-4-6-16/h2-8,13,17,22H,9-12H2,1H3,(H2,19,21,23)/t17-/m1/s1
InChIKeyXMADHISZEHMFOT-QGZVFWFLSA-N
MW313.40 g/mol
LogP2.36
Rot. Bonds7

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (PubChem CID 111455444) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
PubChem CID111455444
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N[C@H](CCO)c2ccccc2)cn1
InChIInChI=1S/C18H23N3O2/c1-14-7-8-15(13-20-14)9-11-19-18(23)21-17(10-12-22)16-5-3-2-4-6-16/h2-8,13,17,22H,9-12H2,1H3,(H2,19,21,23)/t17-/m1/s1
InChIKeyXMADHISZEHMFOT-QGZVFWFLSA-N
XLogP2.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxypentan-3-yl)-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 111455445
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 111454117
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97008326
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 71868268
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
N-(2-aminophenyl)-4-[3-hydroxy-1-(2-phenylethylcarbamoylamino)propyl]benzamide
CID 67421828
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (CID 111455444) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is Cc1ccc(CCNC(=O)N[C@H](CCO)c2ccccc2)cn1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The InChIKey is XMADHISZEHMFOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-7-8-15(13-20-14)9-11-19-18(23)21-17(10-12-22)16-5-3-2-4-6-16/h2-8,13,17,22H,9-12H2,1H3,(H2,19,21,23)/t17-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is sourced from PubChem (CID 111455444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).