[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate

C20H25NO3 — CID 15423381

IUPAC[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1ccccc1C(O)c1ccccc1)C(C)C
InChIInChI=1S/C20H25NO3/c1-14(2)21(15(3)4)20(23)24-18-13-9-8-12-17(18)19(22)16-10-6-5-7-11-16/h5-15,19,22H,1-4H3
InChIKeyBIAVDTGEXWODHJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.39
Rot. Bonds5

About [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate

[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 15423381) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
PubChem CID15423381
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1ccccc1C(O)c1ccccc1)C(C)C
InChIInChI=1S/C20H25NO3/c1-14(2)21(15(3)4)20(23)24-18-13-9-8-12-17(18)19(22)16-10-6-5-7-11-16/h5-15,19,22H,1-4H3
InChIKeyBIAVDTGEXWODHJ-UHFFFAOYSA-N
XLogP4.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate (CID 15423381) is [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)Oc1ccccc1C(O)c1ccccc1)C(C)C.
What is the InChIKey of [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is BIAVDTGEXWODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(2)21(15(3)4)20(23)24-18-13-9-8-12-17(18)19(22)16-10-6-5-7-11-16/h5-15,19,22H,1-4H3.
What are the key properties of [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate?
[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 327.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 15423381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).