1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea

C13H18N2O2 — CID 67712663

IUPAC1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(/C=C/CO)c1
InChIInChI=1S/C13H18N2O2/c1-2-8-14-13(17)15-12-7-3-5-11(10-12)6-4-9-16/h3-7,10,16H,2,8-9H2,1H3,(H2,14,15,17)/b6-4+
InChIKeyIGJZRGFEUKTUQT-GQCTYLIASA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea

1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea (PubChem CID 67712663) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
PubChem CID67712663
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(/C=C/CO)c1
InChIInChI=1S/C13H18N2O2/c1-2-8-14-13(17)15-12-7-3-5-11(10-12)6-4-9-16/h3-7,10,16H,2,8-9H2,1H3,(H2,14,15,17)/b6-4+
InChIKeyIGJZRGFEUKTUQT-GQCTYLIASA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
CID 77340421
4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712801
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
[3-(propylcarbamoylamino)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 56528508
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
1-[3-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005895
1-[3-[5-(2-phenylethenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 75972989
1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
CID 108894947
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea?
The IUPAC name of 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea (CID 67712663) is 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea?
The canonical SMILES for 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(/C=C/CO)c1.
What is the InChIKey of 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea?
The InChIKey is IGJZRGFEUKTUQT-GQCTYLIASA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-14-13(17)15-12-7-3-5-11(10-12)6-4-9-16/h3-7,10,16H,2,8-9H2,1H3,(H2,14,15,17)/b6-4+.
What are the key properties of 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea?
1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea has a molecular weight of 234.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea is sourced from PubChem (CID 67712663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).