2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate

C19H29NO3 — CID 175630764

IUPAC2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate
SMILESCCC(C)(C)OC(=O)NCC(C)(C)CCC(=O)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-6-19(4,5)23-17(22)20-14-18(2,3)13-12-16(21)15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3,(H,20,22)
InChIKeyAKTJGJOHCSFDIR-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.59
Rot. Bonds8

About 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate

2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate (PubChem CID 175630764) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate
PubChem CID175630764
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate
SMILESCCC(C)(C)OC(=O)NCC(C)(C)CCC(=O)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-6-19(4,5)23-17(22)20-14-18(2,3)13-12-16(21)15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3,(H,20,22)
InChIKeyAKTJGJOHCSFDIR-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dihydroxy-1-phenylpentan-1-one
CID 163432539
2-methylbutan-2-yl 3,3-diphenylprop-2-enoate
CID 71318595
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
(2-methyl-5,8-dioxo-8-phenyloctan-2-yl) acetate
CID 11687880
phenyl N-(4-methoxy-2,2-dimethylbutyl)carbamate
CID 104625801
1-phenylbutan-1-one
CID 10315
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
CID 10472126
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
tert-butyl N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]methyl]carbamate
CID 47089866
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
CID 15624897
1-phenylbutan-1-one;hydrobromide
CID 139638507

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate?
The IUPAC name of 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate (CID 175630764) is 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate is CCC(C)(C)OC(=O)NCC(C)(C)CCC(=O)c1ccccc1.
What is the InChIKey of 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate?
The InChIKey is AKTJGJOHCSFDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-19(4,5)23-17(22)20-14-18(2,3)13-12-16(21)15-10-8-7-9-11-15/h7-11H,6,12-14H2,1-5H3,(H,20,22).
What are the key properties of 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate?
2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate has a molecular weight of 319.44 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-(2,2-dimethyl-5-oxo-5-phenylpentyl)carbamate is sourced from PubChem (CID 175630764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).