1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea

C19H22N2O3 — CID 71459467

IUPAC1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESC=CCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC
InChIInChI=1S/C19H22N2O3/c1-4-12-24-18-13-16(10-11-17(18)23-3)21-19(22)20-14(2)15-8-6-5-7-9-15/h4-11,13-14H,1,12H2,2-3H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyLKYNCFUVNNNGNQ-AWEZNQCLSA-N
MW326.40 g/mol
LogP4.14
Rot. Bonds7

About 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea

1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 71459467) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea
PubChem CID71459467
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea
SMILESC=CCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC
InChIInChI=1S/C19H22N2O3/c1-4-12-24-18-13-16(10-11-17(18)23-3)21-19(22)20-14(2)15-8-6-5-7-9-15/h4-11,13-14H,1,12H2,2-3H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyLKYNCFUVNNNGNQ-AWEZNQCLSA-N
XLogP4.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-3-pent-2-ynoxyphenyl)-3-(1-phenylethyl)urea
CID 78075910
1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
CID 71459465
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea (CID 71459467) is 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea is C=CCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is LKYNCFUVNNNGNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-12-24-18-13-16(10-11-17(18)23-3)21-19(22)20-14(2)15-8-6-5-7-9-15/h4-11,13-14H,1,12H2,2-3H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea?
1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 71459467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).