(3,5-diphenylphenyl) N-propan-2-ylcarbamate

C22H21NO2 — CID 44572190

IUPAC(3,5-diphenylphenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c1-16(2)23-22(24)25-21-14-19(17-9-5-3-6-10-17)13-20(15-21)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24)
InChIKeyFPGUFARGSSPCRK-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.52
Rot. Bonds4

About (3,5-diphenylphenyl) N-propan-2-ylcarbamate

(3,5-diphenylphenyl) N-propan-2-ylcarbamate (PubChem CID 44572190) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3,5-diphenylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3,5-diphenylphenyl) N-propan-2-ylcarbamate
PubChem CID44572190
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(3,5-diphenylphenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c1-16(2)23-22(24)25-21-14-19(17-9-5-3-6-10-17)13-20(15-21)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24)
InChIKeyFPGUFARGSSPCRK-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293
(3,5-diphenylphenyl) N-propylcarbamate
CID 44572187
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate
CID 69172795
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
phenyl N-(propan-2-ylcarbamothioyl)carbamate
CID 21284116
(3,5-diphenylphenyl) cyclopentanecarboxylate
CID 44572266
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
CID 11694852
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (3,5-diphenylphenyl) N-propan-2-ylcarbamate (CID 44572190) is (3,5-diphenylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (3,5-diphenylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (3,5-diphenylphenyl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of (3,5-diphenylphenyl) N-propan-2-ylcarbamate?
The InChIKey is FPGUFARGSSPCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(2)23-22(24)25-21-14-19(17-9-5-3-6-10-17)13-20(15-21)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24).
What are the key properties of (3,5-diphenylphenyl) N-propan-2-ylcarbamate?
(3,5-diphenylphenyl) N-propan-2-ylcarbamate has a molecular weight of 331.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 44572190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).