1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea

C19H28N2O3 — CID 71971050

IUPAC1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
SMILESCCOCCOCc1cccc(NC(=O)NC2C=CCCC2)c1C
InChIInChI=1S/C19H28N2O3/c1-3-23-12-13-24-14-16-8-7-11-18(15(16)2)21-19(22)20-17-9-5-4-6-10-17/h5,7-9,11,17H,3-4,6,10,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyNHUJOQSBVNSMIF-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.78
Rot. Bonds8

About 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea

1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea (PubChem CID 71971050) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
PubChem CID71971050
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
SMILESCCOCCOCc1cccc(NC(=O)NC2C=CCCC2)c1C
InChIInChI=1S/C19H28N2O3/c1-3-23-12-13-24-14-16-8-7-11-18(15(16)2)21-19(22)20-17-9-5-4-6-10-17/h5,7-9,11,17H,3-4,6,10,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyNHUJOQSBVNSMIF-UHFFFAOYSA-N
XLogP3.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120669002
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71920717
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea
CID 97224040
1-[(1S)-cyclohex-2-en-1-yl]-3-[4-fluoro-2-(methylsulfonylmethyl)phenyl]urea
CID 97000997

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea (CID 71971050) is 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea is CCOCCOCc1cccc(NC(=O)NC2C=CCCC2)c1C.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea?
The InChIKey is NHUJOQSBVNSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-23-12-13-24-14-16-8-7-11-18(15(16)2)21-19(22)20-17-9-5-4-6-10-17/h5,7-9,11,17H,3-4,6,10,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea?
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea has a molecular weight of 332.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea is sourced from PubChem (CID 71971050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).