1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea

C12H16N2O2 — CID 108909499

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C12H16N2O2/c1-4-7-13-12(15)14-10-8-9(2)5-6-11(10)16-3/h4-8H,1-3H3,(H2,13,14,15)/b7-4+
InChIKeyFNXYPHISGZEIAP-QPJJXVBHSA-N
MW220.27 g/mol
LogP2.66
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea

1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909499) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909499
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C12H16N2O2/c1-4-7-13-12(15)14-10-8-9(2)5-6-11(10)16-3/h4-8H,1-3H3,(H2,13,14,15)/b7-4+
InChIKeyFNXYPHISGZEIAP-QPJJXVBHSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915032
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(carbamothioylamino)-3-(2-methoxy-5-methylphenyl)urea
CID 44725083
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea (CID 108909499) is 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is FNXYPHISGZEIAP-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-7-13-12(15)14-10-8-9(2)5-6-11(10)16-3/h4-8H,1-3H3,(H2,13,14,15)/b7-4+.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 220.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).