[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate

C18H29NO3 — CID 23586136

IUPAC[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@@H](CO)NC(=O)O[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C18H29NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyDMUUZNPEPPEVEI-DLBZAZTESA-N
MW307.43 g/mol
LogP3.53
Rot. Bonds9

About [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate

[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate (PubChem CID 23586136) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate.

Molecular Properties

Compound Name[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
PubChem CID23586136
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
SMILESCCCC[C@@H](CO)NC(=O)O[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C18H29NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyDMUUZNPEPPEVEI-DLBZAZTESA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The IUPAC name of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate (CID 23586136) is [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate.
What is the SMILES notation for [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The canonical SMILES for [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate is CCCC[C@@H](CO)NC(=O)O[C@H](Cc1ccccc1)C(C)C.
What is the InChIKey of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
The InChIKey is DMUUZNPEPPEVEI-DLBZAZTESA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13H2,1-3H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate?
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate has a molecular weight of 307.43 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate is sourced from PubChem (CID 23586136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).