1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea

C18H23N3O3 — CID 90625123

IUPAC1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C18H23N3O3/c22-16(14-21-12-5-4-10-17(21)23)13-20-18(24)19-11-6-9-15-7-2-1-3-8-15/h1-5,7-8,10,12,16,22H,6,9,11,13-14H2,(H2,19,20,24)
InChIKeyZBTSXQKXYQJAFB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.14
Rot. Bonds8

About 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea

1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea (PubChem CID 90625123) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea
PubChem CID90625123
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C18H23N3O3/c22-16(14-21-12-5-4-10-17(21)23)13-20-18(24)19-11-6-9-15-7-2-1-3-8-15/h1-5,7-8,10,12,16,22H,6,9,11,13-14H2,(H2,19,20,24)
InChIKeyZBTSXQKXYQJAFB-UHFFFAOYSA-N
XLogP1.14
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 90624845
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-pyrazol-1-ylacetamide
CID 90624986
2-(4-fluorophenoxy)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624911
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 72719918
4-[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]carbamoylamino]butanoic acid
CID 122013493
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea (CID 90625123) is 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCC(O)Cn1ccccc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea?
The InChIKey is ZBTSXQKXYQJAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(14-21-12-5-4-10-17(21)23)13-20-18(24)19-11-6-9-15-7-2-1-3-8-15/h1-5,7-8,10,12,16,22H,6,9,11,13-14H2,(H2,19,20,24).
What are the key properties of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea?
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea has a molecular weight of 329.40 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 90625123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).