tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate

C19H29NO3 — CID 10286488

IUPACtert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
SMILESCCCCC(=O)C(C)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-6-7-13-16(21)14(2)17(15-11-9-8-10-12-15)20-18(22)23-19(3,4)5/h8-12,14,17H,6-7,13H2,1-5H3,(H,20,22)
InChIKeyCCCFYKSXGAAYPF-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.65
Rot. Bonds7

About tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate

tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate (PubChem CID 10286488) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
PubChem CID10286488
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Nametert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
SMILESCCCCC(=O)C(C)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-6-7-13-16(21)14(2)17(15-11-9-8-10-12-15)20-18(22)23-19(3,4)5/h8-12,14,17H,6-7,13H2,1-5H3,(H,20,22)
InChIKeyCCCFYKSXGAAYPF-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[5-(4-bromophenyl)-2-methyl-3-oxo-1-phenylpentyl]carbamate
CID 10310434
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
ethyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxobutanoate
CID 46913460
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-(4,4-dicyano-2-methyl-1,3-diphenylbut-3-enyl)carbamate
CID 135004110
tert-butyl N-[(2S)-3-oxo-1-phenyloctan-2-yl]carbamate
CID 15858562
(2S,3S)-3-methyl-2-phenyloctan-4-one
CID 100930567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate (CID 10286488) is tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate is CCCCC(=O)C(C)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?
The InChIKey is CCCFYKSXGAAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-7-13-16(21)14(2)17(15-11-9-8-10-12-15)20-18(22)23-19(3,4)5/h8-12,14,17H,6-7,13H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate?
tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate has a molecular weight of 319.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate is sourced from PubChem (CID 10286488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).