1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea

C18H28Cl2N2O2 — CID 3676115

IUPAC1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea
SMILESCCCCC(CC)COCCCNC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H28Cl2N2O2/c1-3-5-8-14(4-2)13-24-12-7-11-21-18(23)22-17-15(19)9-6-10-16(17)20/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H2,21,22,23)
InChIKeyNCNGDFRSCBJVRY-UHFFFAOYSA-N
MW375.34 g/mol
LogP5.74
Rot. Bonds11

About 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea

1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea (PubChem CID 3676115) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea
PubChem CID3676115
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC Name1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea
SMILESCCCCC(CC)COCCCNC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H28Cl2N2O2/c1-3-5-8-14(4-2)13-24-12-7-11-21-18(23)22-17-15(19)9-6-10-16(17)20/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H2,21,22,23)
InChIKeyNCNGDFRSCBJVRY-UHFFFAOYSA-N
XLogP5.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea
CID 3671941
1-(2-chlorophenyl)-3-[3-(2-ethylhexoxy)propyl]thiourea
CID 3585678
dimethyl 5-[3-(2-ethylhexoxy)propylcarbamoylamino]benzene-1,3-dicarboxylate
CID 5003240
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-[3-(2-ethylhexoxy)propyl]-3-[2-methyl-5-(prop-1-en-2-ylcarbamoylamino)phenyl]urea
CID 89220522
1-(4-chloro-2-methylphenyl)-3-[3-(2-ethylhexoxy)propyl]thiourea
CID 3724637
2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide
CID 3775546
2-N,6-N-bis[3-(2-octyldodecoxy)propyl]pyridine-2,6-dicarboxamide
CID 46200144
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
2,4-dichloro-N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
CID 3812613
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
2-ethylhexyl 2-amino-6-chlorobenzoate
CID 63663634

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea (CID 3676115) is 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea is CCCCC(CC)COCCCNC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea?
The InChIKey is NCNGDFRSCBJVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Cl2N2O2/c1-3-5-8-14(4-2)13-24-12-7-11-21-18(23)22-17-15(19)9-6-10-16(17)20/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea?
1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea has a molecular weight of 375.34 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[3-(2-ethylhexoxy)propyl]urea is sourced from PubChem (CID 3676115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).