[2,3-di(nonyl)phenyl]urea

C25H44N2O — CID 175243703

IUPAC[2,3-di(nonyl)phenyl]urea
SMILESCCCCCCCCCc1cccc(NC(N)=O)c1CCCCCCCCC
InChIInChI=1S/C25H44N2O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27-25(26)28)23(22)20-16-14-12-10-8-6-4-2/h17,19,21H,3-16,18,20H2,1-2H3,(H3,26,27,28)
InChIKeyHEOIZINXHXACKM-UHFFFAOYSA-N
MW388.64 g/mol
LogP7.76
Rot. Bonds17

About [2,3-di(nonyl)phenyl]urea

[2,3-di(nonyl)phenyl]urea (PubChem CID 175243703) has the molecular formula C25H44N2O and a molecular weight of 388.64 g/mol. Its IUPAC name is [2,3-di(nonyl)phenyl]urea.

Molecular Properties

Compound Name[2,3-di(nonyl)phenyl]urea
PubChem CID175243703
Molecular FormulaC25H44N2O
Molecular Weight388.64 g/mol
Exact Mass388.35
IUPAC Name[2,3-di(nonyl)phenyl]urea
SMILESCCCCCCCCCc1cccc(NC(N)=O)c1CCCCCCCCC
InChIInChI=1S/C25H44N2O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27-25(26)28)23(22)20-16-14-12-10-8-6-4-2/h17,19,21H,3-16,18,20H2,1-2H3,(H3,26,27,28)
InChIKeyHEOIZINXHXACKM-UHFFFAOYSA-N
XLogP7.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,3-didodecylphenyl)carbamic acid
CID 151626949
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[2,3-di(nonyl)phenyl]carbamothioic S-acid
CID 87179093
(2,3-dihexylphenyl)carbamothioic S-acid
CID 87178909
zinc;N-(2,3-dibutylphenyl)carbamothioate;carbamothioate
CID 87178982
N-[2,3-di(nonyl)phenyl]-2,3-di(nonyl)aniline
CID 89444406
(2-heptadecylphenyl)carbamic acid
CID 71374202
zinc bis(N-(2,3-dihexadecylphenyl)carbamodithioate)
CID 87179216
2,3-dihexadecyl-N-phenylaniline
CID 139699998
3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
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Frequently Asked Questions

What is the IUPAC name of [2,3-di(nonyl)phenyl]urea?
The IUPAC name of [2,3-di(nonyl)phenyl]urea (CID 175243703) is [2,3-di(nonyl)phenyl]urea.
What is the SMILES notation for [2,3-di(nonyl)phenyl]urea?
The canonical SMILES for [2,3-di(nonyl)phenyl]urea is CCCCCCCCCc1cccc(NC(N)=O)c1CCCCCCCCC.
What is the InChIKey of [2,3-di(nonyl)phenyl]urea?
The InChIKey is HEOIZINXHXACKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(27-25(26)28)23(22)20-16-14-12-10-8-6-4-2/h17,19,21H,3-16,18,20H2,1-2H3,(H3,26,27,28).
What are the key properties of [2,3-di(nonyl)phenyl]urea?
[2,3-di(nonyl)phenyl]urea has a molecular weight of 388.64 g/mol, XLogP of 7.76, 17 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(nonyl)phenyl]urea is sourced from PubChem (CID 175243703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).