[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate

C34H36N2O4 — CID 118271941

IUPAC[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
SMILESCC(C)C(OC(=O)N(c1ccccc1)c1ccccc1)C(OC(=O)N(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C34H36N2O4/c1-25(2)31(39-33(37)35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(26(3)4)40-34(38)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3
InChIKeyQFGWDOIPAMYADM-UHFFFAOYSA-N
MW536.67 g/mol
LogP8.99
Rot. Bonds9

About [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate

[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate (PubChem CID 118271941) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
PubChem CID118271941
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Name[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
SMILESCC(C)C(OC(=O)N(c1ccccc1)c1ccccc1)C(OC(=O)N(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C34H36N2O4/c1-25(2)31(39-33(37)35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(26(3)4)40-34(38)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3
InChIKeyQFGWDOIPAMYADM-UHFFFAOYSA-N
XLogP8.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate 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

2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate
CID 118272270
(3-benzoyloxy-4-methylpentan-2-yl) benzoate
CID 14043639
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
CID 118272073
benzene;1,1-diphenyl-3-propan-2-ylurea
CID 70614789
5-phenylpent-1-yn-3-yl N,N-diphenylcarbamate
CID 86180913
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
[(2S)-5-oxo-5-(N-phenylanilino)pent-3-yn-2-yl] acetate
CID 58683376
cobalt;bis(diphenylcarbamic acid)
CID 155679078
ethyl N,N-diphenylcarbamate;isocyanic acid
CID 87547778
(4-methoxy-2,6-dimethylpyridin-1-ium-1-yl) N,N-diphenylcarbamate
CID 4101476
3-ethoxy-2-oxo-N,N-diphenylbutanamide
CID 174477182

Frequently Asked Questions

What is the IUPAC name of [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate?
The IUPAC name of [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate (CID 118271941) is [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate.
What is the SMILES notation for [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate?
The canonical SMILES for [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate is CC(C)C(OC(=O)N(c1ccccc1)c1ccccc1)C(OC(=O)N(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate?
The InChIKey is QFGWDOIPAMYADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-25(2)31(39-33(37)35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(26(3)4)40-34(38)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3.
What are the key properties of [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate?
[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate has a molecular weight of 536.67 g/mol, XLogP of 8.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate is sourced from PubChem (CID 118271941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).