1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea

C20H30N2O3 — CID 123603167

IUPAC1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea
SMILESCCCCOCCC(/C=C\COC)=NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-4-5-15-25-16-13-19(12-9-14-24-3)22-20(23)21-17(2)18-10-7-6-8-11-18/h6-12,17H,4-5,13-16H2,1-3H3,(H,21,23)/b12-9-,22-19?
InChIKeyHZYGNESVMLVLTE-ZZUNTGIKSA-N
MW346.47 g/mol
LogP4.31
Rot. Bonds11

About 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea

1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea (PubChem CID 123603167) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea
PubChem CID123603167
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea
SMILESCCCCOCCC(/C=C\COC)=NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-4-5-15-25-16-13-19(12-9-14-24-3)22-20(23)21-17(2)18-10-7-6-8-11-18/h6-12,17H,4-5,13-16H2,1-3H3,(H,21,23)/b12-9-,22-19?
InChIKeyHZYGNESVMLVLTE-ZZUNTGIKSA-N
XLogP4.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

butyl N-(1-phenylethyl)carbamate
CID 571821
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950161
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
CID 110949254
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane;methyl benzoate
CID 146469280
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea (CID 123603167) is 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea is CCCCOCCC(/C=C\COC)=NC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea?
The InChIKey is HZYGNESVMLVLTE-ZZUNTGIKSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-5-15-25-16-13-19(12-9-14-24-3)22-20(23)21-17(2)18-10-7-6-8-11-18/h6-12,17H,4-5,13-16H2,1-3H3,(H,21,23)/b12-9-,22-19?.
What are the key properties of 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea?
1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea has a molecular weight of 346.47 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-butoxy-6-methoxyhex-4-en-3-ylidene]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123603167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).