1-(2-butoxyphenyl)-3-phenylurea

C17H20N2O2 — CID 17087022

IUPAC1-(2-butoxyphenyl)-3-phenylurea
SMILESCCCCOc1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-3-13-21-16-12-8-7-11-15(16)19-17(20)18-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20)
InChIKeyHDZMUIJTURQHFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.51
Rot. Bonds6

About 1-(2-butoxyphenyl)-3-phenylurea

1-(2-butoxyphenyl)-3-phenylurea (PubChem CID 17087022) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-butoxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-butoxyphenyl)-3-phenylurea
PubChem CID17087022
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-butoxyphenyl)-3-phenylurea
SMILESCCCCOc1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-3-13-21-16-12-8-7-11-15(16)19-17(20)18-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20)
InChIKeyHDZMUIJTURQHFW-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.51
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-bis(2-butoxyphenyl)urea
CID 17170447
1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 19187559
N-(2-butoxyphenyl)propanamide
CID 15943029
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
4-[(2-butoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122077360
3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122074318
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyphenyl)-3-phenylurea?
The IUPAC name of 1-(2-butoxyphenyl)-3-phenylurea (CID 17087022) is 1-(2-butoxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-butoxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-butoxyphenyl)-3-phenylurea is CCCCOc1ccccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-butoxyphenyl)-3-phenylurea?
The InChIKey is HDZMUIJTURQHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-13-21-16-12-8-7-11-15(16)19-17(20)18-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-butoxyphenyl)-3-phenylurea?
1-(2-butoxyphenyl)-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyphenyl)-3-phenylurea is sourced from PubChem (CID 17087022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).