(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate

C32H32N2O4 — CID 66879164

IUPAC(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C32H32N2O4/c35-31(37-29-21-11-9-19-27(29)25-15-5-3-6-16-25)33-23-13-1-2-14-24-34-32(36)38-30-22-12-10-20-28(30)26-17-7-4-8-18-26/h3-12,15-22H,1-2,13-14,23-24H2,(H,33,35)(H,34,36)
InChIKeyLPKISQUMSDGBFG-UHFFFAOYSA-N
MW508.62 g/mol
LogP7.46
Rot. Bonds11

About (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate

(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate (PubChem CID 66879164) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
PubChem CID66879164
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C32H32N2O4/c35-31(37-29-21-11-9-19-27(29)25-15-5-3-6-16-25)33-23-13-1-2-14-24-34-32(36)38-30-22-12-10-20-28(30)26-17-7-4-8-18-26/h3-12,15-22H,1-2,13-14,23-24H2,(H,33,35)(H,34,36)
InChIKeyLPKISQUMSDGBFG-UHFFFAOYSA-N
XLogP7.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
(2-phenylphenyl) N-anilinocarbamate
CID 151770788
[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
CID 146404459
diazulen-1-yl butanedioate
CID 91384946
hexyl (2-phenylphenyl) carbonate
CID 67180373
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
(4-phenylphenyl) N-[6-[[(1R,2R)-2-[6-[(4-phenylphenoxy)carbonylamino]hexylcarbamoylamino]cyclohexyl]carbamoylamino]hexyl]carbamate;(4-phenylphenyl) N-[6-[[(1S,2S)-2-[6-[(4-phenylphenoxy)carbonylamino]hexylcarbamoylamino]cyclohexyl]carbamoylamino]hexyl]carbamate
CID 159507156
methyl 2-[2-(4-chloro-2-phenylphenyl)ethylcarbamoyloxy]benzoate
CID 166572523
tert-butyl N-[3-(2-phenylanilino)propyl]carbamate
CID 113269142
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
18-(benzoyloxycarbonylamino)octadecylcarbamoyl benzoate
CID 19994160

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate?
The IUPAC name of (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate (CID 66879164) is (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate.
What is the SMILES notation for (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate?
The canonical SMILES for (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate is O=C(NCCCCCCNC(=O)Oc1ccccc1-c1ccccc1)Oc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate?
The InChIKey is LPKISQUMSDGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c35-31(37-29-21-11-9-19-27(29)25-15-5-3-6-16-25)33-23-13-1-2-14-24-34-32(36)38-30-22-12-10-20-28(30)26-17-7-4-8-18-26/h3-12,15-22H,1-2,13-14,23-24H2,(H,33,35)(H,34,36).
What are the key properties of (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate?
(2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate has a molecular weight of 508.62 g/mol, XLogP of 7.46, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) N-[6-[(2-phenylphenoxy)carbonylamino]hexyl]carbamate is sourced from PubChem (CID 66879164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).