(2-methyl-5-phenylhexan-2-yl) carbamate

C14H21NO2 — CID 174566123

IUPAC(2-methyl-5-phenylhexan-2-yl) carbamate
SMILESCC(CCC(C)(C)OC(N)=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(12-7-5-4-6-8-12)9-10-14(2,3)17-13(15)16/h4-8,11H,9-10H2,1-3H3,(H2,15,16)
InChIKeyADUWLGNICNALRL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds5

About (2-methyl-5-phenylhexan-2-yl) carbamate

(2-methyl-5-phenylhexan-2-yl) carbamate (PubChem CID 174566123) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-methyl-5-phenylhexan-2-yl) carbamate.

Molecular Properties

Compound Name(2-methyl-5-phenylhexan-2-yl) carbamate
PubChem CID174566123
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-methyl-5-phenylhexan-2-yl) carbamate
SMILESCC(CCC(C)(C)OC(N)=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(12-7-5-4-6-8-12)9-10-14(2,3)17-13(15)16/h4-8,11H,9-10H2,1-3H3,(H2,15,16)
InChIKeyADUWLGNICNALRL-UHFFFAOYSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-phenylhexan-2-ol
CID 12716609
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073
[(2R)-2-phenylpropyl] carbamate
CID 175384997
2,5-dimethylheptan-2-yl carbamate
CID 123535810
[(3R)-3-phenylbutyl] acetate
CID 12598598
1,1-diphenylethyl carbamate
CID 20976713
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
7-methoxy-7-methyl-2-phenyloctan-4-ol
CID 103035120
benzyl (2S)-2,5-dimethyl-5-(2-methylpropanoyloxy)hexanoate
CID 167076108
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
(6-chloro-5-hydroxy-2-methylhexan-2-yl) carbamate
CID 174876825

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenylhexan-2-yl) carbamate?
The IUPAC name of (2-methyl-5-phenylhexan-2-yl) carbamate (CID 174566123) is (2-methyl-5-phenylhexan-2-yl) carbamate.
What is the SMILES notation for (2-methyl-5-phenylhexan-2-yl) carbamate?
The canonical SMILES for (2-methyl-5-phenylhexan-2-yl) carbamate is CC(CCC(C)(C)OC(N)=O)c1ccccc1.
What is the InChIKey of (2-methyl-5-phenylhexan-2-yl) carbamate?
The InChIKey is ADUWLGNICNALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-7-5-4-6-8-12)9-10-14(2,3)17-13(15)16/h4-8,11H,9-10H2,1-3H3,(H2,15,16).
What are the key properties of (2-methyl-5-phenylhexan-2-yl) carbamate?
(2-methyl-5-phenylhexan-2-yl) carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenylhexan-2-yl) carbamate is sourced from PubChem (CID 174566123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).