[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate

C21H28N2O2 — CID 146404459

IUPAC[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc(N(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-4-5-6-10-15-22-21(24)25-18-13-14-20(23(2)3)19(16-18)17-11-8-7-9-12-17/h7-9,11-14,16H,4-6,10,15H2,1-3H3,(H,22,24)
InChIKeyLQXIVABZYFRSJA-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.09
Rot. Bonds8

About [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate

[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate (PubChem CID 146404459) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
PubChem CID146404459
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1ccc(N(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-4-5-6-10-15-22-21(24)25-18-13-14-20(23(2)3)19(16-18)17-11-8-7-9-12-17/h7-9,11-14,16H,4-6,10,15H2,1-3H3,(H,22,24)
InChIKeyLQXIVABZYFRSJA-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
CID 134123208
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767
(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
CID 22971769
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
CID 66879164
quinolin-6-yl N-hexylcarbamate
CID 11587138
[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
(3,5-diphenylphenyl) N-propylcarbamate
CID 44572187
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
2-[3-fluoro-4-[3-(hexylcarbamoyloxy)phenyl]phenyl]acetate
CID 144567354
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate?
The IUPAC name of [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate (CID 146404459) is [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate.
What is the SMILES notation for [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate?
The canonical SMILES for [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate is CCCCCCNC(=O)Oc1ccc(N(C)C)c(-c2ccccc2)c1.
What is the InChIKey of [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate?
The InChIKey is LQXIVABZYFRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-5-6-10-15-22-21(24)25-18-13-14-20(23(2)3)19(16-18)17-11-8-7-9-12-17/h7-9,11-14,16H,4-6,10,15H2,1-3H3,(H,22,24).
What are the key properties of [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate?
[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate has a molecular weight of 340.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate is sourced from PubChem (CID 146404459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).