1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride

C20H27ClN3O2- — CID 108887125

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2ccccc2)c(C)c1.[Cl-]
InChIInChI=1S/C20H27N3O2.ClH/c1-4-23(5-2)17-11-12-19(16(3)15-17)22-20(24)21-13-14-25-18-9-7-6-8-10-18;/h6-12,15H,4-5,13-14H2,1-3H3,(H2,21,22,24);1H/p-1
InChIKeyKCPNUNHCNGQJPU-UHFFFAOYSA-M
MW376.91 g/mol
LogP1.05
Rot. Bonds8

About 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride

1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride (PubChem CID 108887125) has the molecular formula C20H27ClN3O2- and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
PubChem CID108887125
Molecular FormulaC20H27ClN3O2-
Molecular Weight376.91 g/mol
Exact Mass376.18
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
SMILESCCN(CC)c1ccc(NC(=O)NCCOc2ccccc2)c(C)c1.[Cl-]
InChIInChI=1S/C20H27N3O2.ClH/c1-4-23(5-2)17-11-12-19(16(3)15-17)22-20(24)21-13-14-25-18-9-7-6-8-10-18;/h6-12,15H,4-5,13-14H2,1-3H3,(H2,21,22,24);1H/p-1
InChIKeyKCPNUNHCNGQJPU-UHFFFAOYSA-M
XLogP1.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970527
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260
1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108900384
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
1-[4-(diethylamino)-2-methylphenyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880371
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108898002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride (CID 108887125) is 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride is CCN(CC)c1ccc(NC(=O)NCCOc2ccccc2)c(C)c1.[Cl-].
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride?
The InChIKey is KCPNUNHCNGQJPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-4-23(5-2)17-11-12-19(16(3)15-17)22-20(24)21-13-14-25-18-9-7-6-8-10-18;/h6-12,15H,4-5,13-14H2,1-3H3,(H2,21,22,24);1H/p-1.
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride?
1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride has a molecular weight of 376.91 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride is sourced from PubChem (CID 108887125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).