1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea

C13H18N2O2 — CID 77340421

IUPAC1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C=CCO)c1
InChIInChI=1S/C13H18N2O2/c1-10(2)14-13(17)15-12-7-3-5-11(9-12)6-4-8-16/h3-7,9-10,16H,8H2,1-2H3,(H2,14,15,17)
InChIKeyUNTZVXCKZUTUIX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds4

About 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea

1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea (PubChem CID 77340421) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
PubChem CID77340421
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C=CCO)c1
InChIInChI=1S/C13H18N2O2/c1-10(2)14-13(17)15-12-7-3-5-11(9-12)6-4-8-16/h3-7,9-10,16H,8H2,1-2H3,(H2,14,15,17)
InChIKeyUNTZVXCKZUTUIX-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
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-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
CID 67712663
4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712801
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]thiophene-2-carboxamide
CID 67712602
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-propan-2-ylurea
CID 60804841
(E)-3-[3-(1-methoxypropan-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340549
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea (CID 77340421) is 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc(C=CCO)c1.
What is the InChIKey of 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea?
The InChIKey is UNTZVXCKZUTUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)14-13(17)15-12-7-3-5-11(9-12)6-4-8-16/h3-7,9-10,16H,8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea?
1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea has a molecular weight of 234.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 77340421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).