1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea

C18H30N2O2 — CID 52543250

IUPAC1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-14(2)13-22-12-6-11-19-17(21)20-16-9-7-15(8-10-16)18(3,4)5/h7-10,14H,6,11-13H2,1-5H3,(H2,19,20,21)
InChIKeyDRHZADMHJRKITC-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.17
Rot. Bonds7

About 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea

1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea (PubChem CID 52543250) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
PubChem CID52543250
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O2/c1-14(2)13-22-12-6-11-19-17(21)20-16-9-7-15(8-10-16)18(3,4)5/h7-10,14H,6,11-13H2,1-5H3,(H2,19,20,21)
InChIKeyDRHZADMHJRKITC-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.17
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-[3-(2-methylpropoxy)propyl]-3-(4-nitrophenyl)urea
CID 46493828
1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133549
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
1-[3-(2-aminoethoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 106308105
1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
CID 82946717
1-[3-(2-methylpropoxy)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194230
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
1-(2-bromo-4-methylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133437

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea (CID 52543250) is 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea is CC(C)COCCCNC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea?
The InChIKey is DRHZADMHJRKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)13-22-12-6-11-19-17(21)20-16-9-7-15(8-10-16)18(3,4)5/h7-10,14H,6,11-13H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea?
1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea has a molecular weight of 306.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 52543250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).