methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate

C15H21NO3 — CID 59470684

IUPACmethyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](CC(=O)C(C)C)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)14(17)10-13(16-15(18)19-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyIYSHXSDCTSRSJQ-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.57
Rot. Bonds6

About methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate

methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate (PubChem CID 59470684) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate
PubChem CID59470684
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](CC(=O)C(C)C)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)14(17)10-13(16-15(18)19-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyIYSHXSDCTSRSJQ-CYBMUJFWSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-4-oxo-1-phenylpentan-2-yl]carbamate
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methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
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methyl N-(4-oxo-1-phenylhex-5-en-2-yl)carbamate
CID 90853214
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
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methyl N-[(2S)-1-phenylhex-5-yn-2-yl]carbamate
CID 139471015
(2R)-2-(methoxycarbonylamino)-3-phenylpropanethioic S-acid
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methyl N-(1-methoxy-2-phenylethyl)carbamate
CID 11085058
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate (CID 59470684) is methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate is COC(=O)N[C@@H](CC(=O)C(C)C)Cc1ccccc1.
What is the InChIKey of methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate?
The InChIKey is IYSHXSDCTSRSJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)14(17)10-13(16-15(18)19-3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate?
methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate is sourced from PubChem (CID 59470684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).