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

C18H27NO3 — CID 10062713

IUPAC[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate
SMILESCCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyZLZXUNHJWVLGTE-DLBZAZTESA-N
MW305.42 g/mol
LogP3.74
Rot. Bonds9

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

[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate (PubChem CID 10062713) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Name[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate
PubChem CID10062713
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate
SMILESCCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C
InChIInChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyZLZXUNHJWVLGTE-DLBZAZTESA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate?
The IUPAC name of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate (CID 10062713) is [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate?
The canonical SMILES for [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate is CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C.
What is the InChIKey of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate?
The InChIKey is ZLZXUNHJWVLGTE-DLBZAZTESA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of [(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate?
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 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-oxohexan-2-yl]carbamate is sourced from PubChem (CID 10062713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).