1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea

C15H20N2O2 — CID 60815059

IUPAC1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(C)cc1C#CCCO
InChIInChI=1S/C15H20N2O2/c1-3-9-16-15(19)17-14-8-7-12(2)11-13(14)6-4-5-10-18/h7-8,11,18H,3,5,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyFPKWIQMVDHHFLV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea

1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea (PubChem CID 60815059) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
PubChem CID60815059
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(C)cc1C#CCCO
InChIInChI=1S/C15H20N2O2/c1-3-9-16-15(19)17-14-8-7-12(2)11-13(14)6-4-5-10-18/h7-8,11,18H,3,5,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyFPKWIQMVDHHFLV-UHFFFAOYSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 63333834
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 60803704
1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
CID 54923015
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopropanecarboxamide
CID 60804593
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922406
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]butane-1-sulfonamide
CID 60814770
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 63079801
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802849
1-butyl-3-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]urea
CID 60814559
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea?
The IUPAC name of 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea (CID 60815059) is 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea.
What is the SMILES notation for 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea?
The canonical SMILES for 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea is CCCNC(=O)Nc1ccc(C)cc1C#CCCO.
What is the InChIKey of 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea?
The InChIKey is FPKWIQMVDHHFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-16-15(19)17-14-8-7-12(2)11-13(14)6-4-5-10-18/h7-8,11,18H,3,5,9-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea?
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea has a molecular weight of 260.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea is sourced from PubChem (CID 60815059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).