1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea

C20H24N2O3 — CID 71459465

IUPAC1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
SMILESCC/C=C/Oc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC
InChIInChI=1S/C20H24N2O3/c1-4-5-13-25-19-14-17(11-12-18(19)24-3)22-20(23)21-15(2)16-9-7-6-8-10-16/h5-15H,4H2,1-3H3,(H2,21,22,23)/b13-5+/t15-/m0/s1
InChIKeyCNSCCKJLEWCIQN-WQPBDQAGSA-N
MW340.42 g/mol
LogP4.88
Rot. Bonds7

About 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea

1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea (PubChem CID 71459465) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
PubChem CID71459465
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea
SMILESCC/C=C/Oc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC
InChIInChI=1S/C20H24N2O3/c1-4-5-13-25-19-14-17(11-12-18(19)24-3)22-20(23)21-15(2)16-9-7-6-8-10-16/h5-15H,4H2,1-3H3,(H2,21,22,23)/b13-5+/t15-/m0/s1
InChIKeyCNSCCKJLEWCIQN-WQPBDQAGSA-N
XLogP4.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-3-prop-2-enoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 71459467
1-(4-methoxy-3-pent-2-ynoxyphenyl)-3-(1-phenylethyl)urea
CID 78075910
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874
1-[(E)-but-1-enyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]urea
CID 108910581
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-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 26865685
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea (CID 71459465) is 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea is CC/C=C/Oc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC.
What is the InChIKey of 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
The InChIKey is CNSCCKJLEWCIQN-WQPBDQAGSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-5-13-25-19-14-17(11-12-18(19)24-3)22-20(23)21-15(2)16-9-7-6-8-10-16/h5-15H,4H2,1-3H3,(H2,21,22,23)/b13-5+/t15-/m0/s1.
What are the key properties of 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea?
1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea has a molecular weight of 340.42 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-but-1-enoxy]-4-methoxyphenyl]-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 71459465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).