1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea

C18H23N3O2 — CID 111506991

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea
SMILESCCC(NC(=O)NCCC(O)c1ccccc1)c1ccncc1
InChIInChI=1S/C18H23N3O2/c1-2-16(14-8-11-19-12-9-14)21-18(23)20-13-10-17(22)15-6-4-3-5-7-15/h3-9,11-12,16-17,22H,2,10,13H2,1H3,(H2,20,21,23)
InChIKeyRGPJKIKIBLCNEZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds7

About 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea

1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea (PubChem CID 111506991) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea
PubChem CID111506991
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea
SMILESCCC(NC(=O)NCCC(O)c1ccccc1)c1ccncc1
InChIInChI=1S/C18H23N3O2/c1-2-16(14-8-11-19-12-9-14)21-18(23)20-13-10-17(22)15-6-4-3-5-7-15/h3-9,11-12,16-17,22H,2,10,13H2,1H3,(H2,20,21,23)
InChIKeyRGPJKIKIBLCNEZ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 62306268
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1-(3-methyl-1-phenylbutyl)-3-propylurea
CID 133230839
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea (CID 111506991) is 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea is CCC(NC(=O)NCCC(O)c1ccccc1)c1ccncc1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea?
The InChIKey is RGPJKIKIBLCNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-16(14-8-11-19-12-9-14)21-18(23)20-13-10-17(22)15-6-4-3-5-7-15/h3-9,11-12,16-17,22H,2,10,13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea?
1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea is sourced from PubChem (CID 111506991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).