(3,5-diphenylphenyl) N-propylcarbamate

C22H21NO2 — CID 44572187

IUPAC(3,5-diphenylphenyl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c1-2-13-23-22(24)25-21-15-19(17-9-5-3-6-10-17)14-20(16-21)18-11-7-4-8-12-18/h3-12,14-16H,2,13H2,1H3,(H,23,24)
InChIKeyHFYMHEYJQWJALA-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.52
Rot. Bonds5

About (3,5-diphenylphenyl) N-propylcarbamate

(3,5-diphenylphenyl) N-propylcarbamate (PubChem CID 44572187) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3,5-diphenylphenyl) N-propylcarbamate.

Molecular Properties

Compound Name(3,5-diphenylphenyl) N-propylcarbamate
PubChem CID44572187
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(3,5-diphenylphenyl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c1-2-13-23-22(24)25-21-15-19(17-9-5-3-6-10-17)14-20(16-21)18-11-7-4-8-12-18/h3-12,14-16H,2,13H2,1H3,(H,23,24)
InChIKeyHFYMHEYJQWJALA-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze (3,5-diphenylphenyl) N-propylcarbamate 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

(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
2-methylidene-4-[(3-phenylphenoxy)carbonylamino]butanoic acid
CID 67360995
methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate
CID 177119381
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
(2-ethylphenyl) N-propylcarbamate
CID 127559161
phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate
CID 59371177
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl) N-propylcarbamate?
The IUPAC name of (3,5-diphenylphenyl) N-propylcarbamate (CID 44572187) is (3,5-diphenylphenyl) N-propylcarbamate.
What is the SMILES notation for (3,5-diphenylphenyl) N-propylcarbamate?
The canonical SMILES for (3,5-diphenylphenyl) N-propylcarbamate is CCCNC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of (3,5-diphenylphenyl) N-propylcarbamate?
The InChIKey is HFYMHEYJQWJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-2-13-23-22(24)25-21-15-19(17-9-5-3-6-10-17)14-20(16-21)18-11-7-4-8-12-18/h3-12,14-16H,2,13H2,1H3,(H,23,24).
What are the key properties of (3,5-diphenylphenyl) N-propylcarbamate?
(3,5-diphenylphenyl) N-propylcarbamate has a molecular weight of 331.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl) N-propylcarbamate is sourced from PubChem (CID 44572187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).