1,3-bis[4-(4-methylphenoxy)butyl]urea

C23H32N2O3 — CID 47093546

IUPAC1,3-bis[4-(4-methylphenoxy)butyl]urea
SMILESCc1ccc(OCCCCNC(=O)NCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C23H32N2O3/c1-19-7-11-21(12-8-19)27-17-5-3-15-24-23(26)25-16-4-6-18-28-22-13-9-20(2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H2,24,25,26)
InChIKeyFIVWJFNAPDPSCA-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.62
Rot. Bonds12

About 1,3-bis[4-(4-methylphenoxy)butyl]urea

1,3-bis[4-(4-methylphenoxy)butyl]urea (PubChem CID 47093546) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1,3-bis[4-(4-methylphenoxy)butyl]urea.

Molecular Properties

Compound Name1,3-bis[4-(4-methylphenoxy)butyl]urea
PubChem CID47093546
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1,3-bis[4-(4-methylphenoxy)butyl]urea
SMILESCc1ccc(OCCCCNC(=O)NCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C23H32N2O3/c1-19-7-11-21(12-8-19)27-17-5-3-15-24-23(26)25-16-4-6-18-28-22-13-9-20(2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H2,24,25,26)
InChIKeyFIVWJFNAPDPSCA-UHFFFAOYSA-N
XLogP4.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
1-(3-chloropropyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892893
2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
CID 119722678
2-[3-(4-methylphenoxy)propylcarbamoylamino]propanoic acid
CID 108881262
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881485
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
1-[3-(4-methylphenoxy)propyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108881373
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(4-methylphenoxy)butyl]urea?
The IUPAC name of 1,3-bis[4-(4-methylphenoxy)butyl]urea (CID 47093546) is 1,3-bis[4-(4-methylphenoxy)butyl]urea.
What is the SMILES notation for 1,3-bis[4-(4-methylphenoxy)butyl]urea?
The canonical SMILES for 1,3-bis[4-(4-methylphenoxy)butyl]urea is Cc1ccc(OCCCCNC(=O)NCCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 1,3-bis[4-(4-methylphenoxy)butyl]urea?
The InChIKey is FIVWJFNAPDPSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-19-7-11-21(12-8-19)27-17-5-3-15-24-23(26)25-16-4-6-18-28-22-13-9-20(2)10-14-22/h7-14H,3-6,15-18H2,1-2H3,(H2,24,25,26).
What are the key properties of 1,3-bis[4-(4-methylphenoxy)butyl]urea?
1,3-bis[4-(4-methylphenoxy)butyl]urea has a molecular weight of 384.52 g/mol, XLogP of 4.62, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(4-methylphenoxy)butyl]urea is sourced from PubChem (CID 47093546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).