3-phenylpentan-2-yl carbamate

C12H17NO2 — CID 70616482

IUPAC3-phenylpentan-2-yl carbamate
SMILESCCC(c1ccccc1)C(C)OC(N)=O
InChIInChI=1S/C12H17NO2/c1-3-11(9(2)15-12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)
InChIKeyCEEGDZPBPYDAKB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.66
Rot. Bonds4

About 3-phenylpentan-2-yl carbamate

3-phenylpentan-2-yl carbamate (PubChem CID 70616482) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-phenylpentan-2-yl carbamate.

Molecular Properties

Compound Name3-phenylpentan-2-yl carbamate
PubChem CID70616482
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-phenylpentan-2-yl carbamate
SMILESCCC(c1ccccc1)C(C)OC(N)=O
InChIInChI=1S/C12H17NO2/c1-3-11(9(2)15-12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14)
InChIKeyCEEGDZPBPYDAKB-UHFFFAOYSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-phenylpentanamide
CID 59893710
amino 2,3-dimethyl-4-phenylhexanoate
CID 58946320
ethyl 2-hydroxy-3-phenylpentanoate
CID 66289618
3-phenoxybutan-2-yl carbamate
CID 67862078
(2S)-3-phenylpentan-2-ol
CID 45048673
(4-hydroxy-3-phenylhexyl) carbamate
CID 175539407
3-methyl-5-phenylheptan-4-amine
CID 105017445
4-methyl-3-phenylpentanamide
CID 66616845
ethyl (2S)-2-phenylpropanoate
CID 7204861
3,4-diphenylhexanoic acid
CID 153127747
1-phenylpropyl 2-phenylpropanoate
CID 174489936
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686

Frequently Asked Questions

What is the IUPAC name of 3-phenylpentan-2-yl carbamate?
The IUPAC name of 3-phenylpentan-2-yl carbamate (CID 70616482) is 3-phenylpentan-2-yl carbamate.
What is the SMILES notation for 3-phenylpentan-2-yl carbamate?
The canonical SMILES for 3-phenylpentan-2-yl carbamate is CCC(c1ccccc1)C(C)OC(N)=O.
What is the InChIKey of 3-phenylpentan-2-yl carbamate?
The InChIKey is CEEGDZPBPYDAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-11(9(2)15-12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H2,13,14).
What are the key properties of 3-phenylpentan-2-yl carbamate?
3-phenylpentan-2-yl carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpentan-2-yl carbamate is sourced from PubChem (CID 70616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).