1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea

C15H20N2O2 — CID 971215

IUPAC1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea
SMILESC#CC(CC)(CC)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-5-15(6-2,7-3)17-14(18)16-12-8-10-13(19-4)11-9-12/h1,8-11H,6-7H2,2-4H3,(H2,16,17,18)
InChIKeyKNGRJFDYGNJPSF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea

1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea (PubChem CID 971215) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea
PubChem CID971215
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea
SMILESC#CC(CC)(CC)NC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-5-15(6-2,7-3)17-14(18)16-12-8-10-13(19-4)11-9-12/h1,8-11H,6-7H2,2-4H3,(H2,16,17,18)
InChIKeyKNGRJFDYGNJPSF-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
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-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)urea
CID 6470201
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
1-(3-cyanopentan-3-yl)-3-(4-methylphenyl)urea
CID 61122433
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
[(4-methoxyphenyl)carbamoylamino] propanoate
CID 57108481
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea (CID 971215) is 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea is C#CC(CC)(CC)NC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is KNGRJFDYGNJPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-15(6-2,7-3)17-14(18)16-12-8-10-13(19-4)11-9-12/h1,8-11H,6-7H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea?
1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 260.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpent-1-yn-3-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 971215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).