1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea

C20H26ClN3O2 — CID 108882764

IUPAC1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C20H26ClN3O2/c1-20(2,3)14-5-8-16(9-6-14)26-12-4-11-23-19(25)24-15-7-10-18(22)17(21)13-15/h5-10,13H,4,11-12,22H2,1-3H3,(H2,23,24,25)
InChIKeySGOISWTZLWJTGL-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.81
Rot. Bonds6

About 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea

1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea (PubChem CID 108882764) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
PubChem CID108882764
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C20H26ClN3O2/c1-20(2,3)14-5-8-16(9-6-14)26-12-4-11-23-19(25)24-15-7-10-18(22)17(21)13-15/h5-10,13H,4,11-12,22H2,1-3H3,(H2,23,24,25)
InChIKeySGOISWTZLWJTGL-UHFFFAOYSA-N
XLogP4.81
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
1-(4-amino-2-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882763
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-[3-(4-tert-butylphenoxy)propyl]-3-(3-nitrophenyl)urea
CID 108882747
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 112972923
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea (CID 108882764) is 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea is CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea?
The InChIKey is SGOISWTZLWJTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-20(2,3)14-5-8-16(9-6-14)26-12-4-11-23-19(25)24-15-7-10-18(22)17(21)13-15/h5-10,13H,4,11-12,22H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea?
1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea has a molecular weight of 375.90 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea is sourced from PubChem (CID 108882764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).