1,3-diphenylpropyl carbamate

C16H17NO2 — CID 154100927

IUPAC1,3-diphenylpropyl carbamate
SMILESNC(=O)OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c17-16(18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,17,18)
InChIKeyHTPMQCFZWZBUBO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.46
Rot. Bonds5

About 1,3-diphenylpropyl carbamate

1,3-diphenylpropyl carbamate (PubChem CID 154100927) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,3-diphenylpropyl carbamate.

Molecular Properties

Compound Name1,3-diphenylpropyl carbamate
PubChem CID154100927
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1,3-diphenylpropyl carbamate
SMILESNC(=O)OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c17-16(18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,17,18)
InChIKeyHTPMQCFZWZBUBO-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1,3-diphenylpropoxy]methanethioic S-acid
CID 146180519
(2-amino-1-phenylethyl) carbamate
CID 57066991
(2-bromo-1-phenylethyl) carbamate
CID 175141510
(4-azido-1-phenylbutyl) carbamate
CID 121415286
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
1-phenylbut-3-enyl carbamate
CID 126509930
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
[1-(4-carbamoylphenyl)-4-phenylbutyl] benzoate
CID 102495090
[1-phenyl-3-(1-phenylpyrrolidin-1-ium-1-yl)propyl] carbamate
CID 18700388
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
2-(2-phenylethyl)propanediamide
CID 66660020

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropyl carbamate?
The IUPAC name of 1,3-diphenylpropyl carbamate (CID 154100927) is 1,3-diphenylpropyl carbamate.
What is the SMILES notation for 1,3-diphenylpropyl carbamate?
The canonical SMILES for 1,3-diphenylpropyl carbamate is NC(=O)OC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropyl carbamate?
The InChIKey is HTPMQCFZWZBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-16(18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,17,18).
What are the key properties of 1,3-diphenylpropyl carbamate?
1,3-diphenylpropyl carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropyl carbamate is sourced from PubChem (CID 154100927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).